4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

C26H33N3O2 — CID 118304795

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)/t23-,24+,25?/m0/s1
InChIKeyHZJRRJZHMUWDRQ-ZXABPTRBSA-N
MW419.57 g/mol
LogP3.35
Rot. Bonds9

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (PubChem CID 118304795) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
PubChem CID118304795
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)/t23-,24+,25?/m0/s1
InChIKeyHZJRRJZHMUWDRQ-ZXABPTRBSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-(2-morpholin-4-yl-2-phenylethyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954887
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (CID 118304795) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The InChIKey is HZJRRJZHMUWDRQ-ZXABPTRBSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)/t23-,24+,25?/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide has a molecular weight of 419.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is sourced from PubChem (CID 118304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).