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

C27H27N3O2 — CID 86729911

IUPAC4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-26(20-4-2-1-3-5-20)29-23-14-10-21(11-15-23)27(32)30-22-12-8-19(9-13-22)24-16-25(24)28-17-18-6-7-18/h1-5,8-15,18,24-25,28H,6-7,16-17H2,(H,29,31)(H,30,32)/t24-,25+/m0/s1
InChIKeyJHILOPBSQQBRNX-LOSJGSFVSA-N
MW425.53 g/mol
LogP5.05
Rot. Bonds8

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

4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide (PubChem CID 86729911) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
PubChem CID86729911
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-26(20-4-2-1-3-5-20)29-23-14-10-21(11-15-23)27(32)30-22-12-8-19(9-13-22)24-16-25(24)28-17-18-6-7-18/h1-5,8-15,18,24-25,28H,6-7,16-17H2,(H,29,31)(H,30,32)/t24-,25+/m0/s1
InChIKeyJHILOPBSQQBRNX-LOSJGSFVSA-N
XLogP5.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
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-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
CID 90214000
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide (CID 86729911) is 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The InChIKey is JHILOPBSQQBRNX-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-26(20-4-2-1-3-5-20)29-23-14-10-21(11-15-23)27(32)30-22-12-8-19(9-13-22)24-16-25(24)28-17-18-6-7-18/h1-5,8-15,18,24-25,28H,6-7,16-17H2,(H,29,31)(H,30,32)/t24-,25+/m0/s1.
What are the key properties of 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 86729911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).