N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

C41H41N3O4 — CID 176753487

IUPACN-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
SMILESCNc1cccc(CNC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)c1
InChIInChI=1S/C41H41N3O4/c1-29-6-10-35(11-7-29)41(46)44-24-22-39(23-25-44)48-38-18-8-30(9-19-38)28-47-37-20-16-33(17-21-37)32-12-14-34(15-13-32)40(45)43-27-31-4-3-5-36(26-31)42-2/h3-21,26,39,42H,22-25,27-28H2,1-2H3,(H,43,45)
InChIKeyUDVDFFHSIZHPOO-UHFFFAOYSA-N
MW639.80 g/mol
LogP7.90
Rot. Bonds11

About N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (PubChem CID 176753487) has the molecular formula C41H41N3O4 and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
PubChem CID176753487
Molecular FormulaC41H41N3O4
Molecular Weight639.80 g/mol
Exact Mass639.31
IUPAC NameN-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
SMILESCNc1cccc(CNC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)c1
InChIInChI=1S/C41H41N3O4/c1-29-6-10-35(11-7-29)41(46)44-24-22-39(23-25-44)48-38-18-8-30(9-19-38)28-47-37-20-16-33(17-21-37)32-12-14-34(15-13-32)40(45)43-27-31-4-3-5-36(26-31)42-2/h3-21,26,39,42H,22-25,27-28H2,1-2H3,(H,43,45)
InChIKeyUDVDFFHSIZHPOO-UHFFFAOYSA-N
XLogP7.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[N-methyl-3-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]anilino]benzoate
CID 176788550
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788478
N-[3-(2,6-dimethylanilino)-4-methylphenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788490
tert-butyl 4-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 177072963
N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788547
4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[4-methyl-3-(4-phenylpiperidin-1-yl)phenyl]benzamide
CID 176788545
2,6-dimethyl-3-[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]benzoic acid
CID 176753483
4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 176788497
N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788501
N-[2-methoxy-5-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788593
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The IUPAC name of N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (CID 176753487) is N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The canonical SMILES for N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is CNc1cccc(CNC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)c1.
What is the InChIKey of N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The InChIKey is UDVDFFHSIZHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N3O4/c1-29-6-10-35(11-7-29)41(46)44-24-22-39(23-25-44)48-38-18-8-30(9-19-38)28-47-37-20-16-33(17-21-37)32-12-14-34(15-13-32)40(45)43-27-31-4-3-5-36(26-31)42-2/h3-21,26,39,42H,22-25,27-28H2,1-2H3,(H,43,45).
What are the key properties of N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide has a molecular weight of 639.80 g/mol, XLogP of 7.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is sourced from PubChem (CID 176753487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).