N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide

C67H62N6O7 — CID 166785120

IUPACN-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCOC(C(NC(=O)Cc3ccc(NC(=O)c4ccccc4-c4ccccc4C(=O)N4CCCCC4)cc3)c3ccccc3)C2)cc1)NCc1ccccc1
InChIInChI=1S/C67H62N6O7/c74-61(68-44-48-18-4-1-5-19-48)42-46-30-34-50(35-31-46)69-65(77)57-27-13-9-23-53(57)55-25-11-15-29-59(55)67(79)73-40-41-80-60(45-73)63(49-20-6-2-7-21-49)71-62(75)43-47-32-36-51(37-33-47)70-64(76)56-26-12-8-22-52(56)54-24-10-14-28-58(54)66(78)72-38-16-3-17-39-72/h1-2,4-15,18-37,60,63H,3,16-17,38-45H2,(H,68,74)(H,69,77)(H,70,76)(H,71,75)
InChIKeyHCXUOCXXTQFFGQ-UHFFFAOYSA-N
MW1063.27 g/mol
LogP10.95
Rot. Bonds17

About N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide

N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 166785120) has the molecular formula C67H62N6O7 and a molecular weight of 1063.27 g/mol. Its IUPAC name is N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID166785120
Molecular FormulaC67H62N6O7
Molecular Weight1063.27 g/mol
Exact Mass1062.47
IUPAC NameN-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCOC(C(NC(=O)Cc3ccc(NC(=O)c4ccccc4-c4ccccc4C(=O)N4CCCCC4)cc3)c3ccccc3)C2)cc1)NCc1ccccc1
InChIInChI=1S/C67H62N6O7/c74-61(68-44-48-18-4-1-5-19-48)42-46-30-34-50(35-31-46)69-65(77)57-27-13-9-23-53(57)55-25-11-15-29-59(55)67(79)73-40-41-80-60(45-73)63(49-20-6-2-7-21-49)71-62(75)43-47-32-36-51(37-33-47)70-64(76)56-26-12-8-22-52(56)54-24-10-14-28-58(54)66(78)72-38-16-3-17-39-72/h1-2,4-15,18-37,60,63H,3,16-17,38-45H2,(H,68,74)(H,69,77)(H,70,76)(H,71,75)
InChIKeyHCXUOCXXTQFFGQ-UHFFFAOYSA-N
XLogP10.95
TPSA166.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.27
LogP ≤ 510.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide with MolForge

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Related Compounds

N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 158652838
N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 97251834
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[2-[[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 75395849
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-(morpholine-4-carbonyl)benzamide;N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-(piperidine-1-carbonyl)benzamide;3-chloro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]benzamide;bis(3-chloro-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]phenyl]benzamide);3-chloro-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]benzamide
CID 158959348
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
CID 110354058
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 166785120) is N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCOC(C(NC(=O)Cc3ccc(NC(=O)c4ccccc4-c4ccccc4C(=O)N4CCCCC4)cc3)c3ccccc3)C2)cc1)NCc1ccccc1.
What is the InChIKey of N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is HCXUOCXXTQFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H62N6O7/c74-61(68-44-48-18-4-1-5-19-48)42-46-30-34-50(35-31-46)69-65(77)57-27-13-9-23-53(57)55-25-11-15-29-59(55)67(79)73-40-41-80-60(45-73)63(49-20-6-2-7-21-49)71-62(75)43-47-32-36-51(37-33-47)70-64(76)56-26-12-8-22-52(56)54-24-10-14-28-58(54)66(78)72-38-16-3-17-39-72/h1-2,4-15,18-37,60,63H,3,16-17,38-45H2,(H,68,74)(H,69,77)(H,70,76)(H,71,75).
What are the key properties of N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 1063.27 g/mol, XLogP of 10.95, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 166785120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).