N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide

C26H26N2O — CID 90213996

IUPACN-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc([C@H]2C[C@@H]2NCC2CC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26N2O/c29-26(22-10-8-20(9-11-22)19-4-2-1-3-5-19)28-23-14-12-21(13-15-23)24-16-25(24)27-17-18-6-7-18/h1-5,8-15,18,24-25,27H,6-7,16-17H2,(H,28,29)/t24-,25+/m1/s1
InChIKeyOIBXNKRQIHNPEZ-RPBOFIJWSA-N
MW382.51 g/mol
LogP5.46
Rot. Bonds7

About N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide

N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide (PubChem CID 90213996) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
PubChem CID90213996
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc([C@H]2C[C@@H]2NCC2CC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26N2O/c29-26(22-10-8-20(9-11-22)19-4-2-1-3-5-19)28-23-14-12-21(13-15-23)24-16-25(24)27-17-18-6-7-18/h1-5,8-15,18,24-25,27H,6-7,16-17H2,(H,28,29)/t24-,25+/m1/s1
InChIKeyOIBXNKRQIHNPEZ-RPBOFIJWSA-N
XLogP5.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
CID 90214106
[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214035

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide (CID 90213996) is N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide is O=C(Nc1ccc([C@H]2C[C@@H]2NCC2CC2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide?
The InChIKey is OIBXNKRQIHNPEZ-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(22-10-8-20(9-11-22)19-4-2-1-3-5-19)28-23-14-12-21(13-15-23)24-16-25(24)27-17-18-6-7-18/h1-5,8-15,18,24-25,27H,6-7,16-17H2,(H,28,29)/t24-,25+/m1/s1.
What are the key properties of N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide?
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide has a molecular weight of 382.51 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 90213996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).