N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide

C22H23N3O — CID 118304064

IUPACN-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESN#Cc1cccc(CNC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)c1
InChIInChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25-22(26)19-8-6-18(7-9-19)20-11-21(20)24-13-15-4-5-15/h1-3,6-10,15,20-21,24H,4-5,11,13-14H2,(H,25,26)/t20-,21+/m0/s1
InChIKeyFMBDBHCKDBBWKY-LEWJYISDSA-N
MW345.45 g/mol
LogP3.34
Rot. Bonds7

About N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide

N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide (PubChem CID 118304064) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
PubChem CID118304064
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESN#Cc1cccc(CNC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)c1
InChIInChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25-22(26)19-8-6-18(7-9-19)20-11-21(20)24-13-15-4-5-15/h1-3,6-10,15,20-21,24H,4-5,11,13-14H2,(H,25,26)/t20-,21+/m0/s1
InChIKeyFMBDBHCKDBBWKY-LEWJYISDSA-N
XLogP3.34
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 118305141
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
CID 118304730
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide (CID 118304064) is N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide is N#Cc1cccc(CNC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The InChIKey is FMBDBHCKDBBWKY-LEWJYISDSA-N. The full InChI is InChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25-22(26)19-8-6-18(7-9-19)20-11-21(20)24-13-15-4-5-15/h1-3,6-10,15,20-21,24H,4-5,11,13-14H2,(H,25,26)/t20-,21+/m0/s1.
What are the key properties of N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).