4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide

C22H23N3O — CID 140688651

IUPAC4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide
SMILESN#Cc1cccc(CN(CC2CC2)C2CC2c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25(13-15-4-5-15)21-11-20(21)18-6-8-19(9-7-18)22(24)26/h1-3,6-10,15,20-21H,4-5,11,13-14H2,(H2,24,26)
InChIKeyQQRCOGWVAGMBBW-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.43
Rot. Bonds7

About 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide

4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide (PubChem CID 140688651) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide
PubChem CID140688651
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide
SMILESN#Cc1cccc(CN(CC2CC2)C2CC2c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25(13-15-4-5-15)21-11-20(21)18-6-8-19(9-7-18)22(24)26/h1-3,6-10,15,20-21H,4-5,11,13-14H2,(H2,24,26)
InChIKeyQQRCOGWVAGMBBW-UHFFFAOYSA-N
XLogP3.43
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304064
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-amino-4-[(3-cyanophenyl)methylamino]benzamide
CID 62312022
4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
CID 18545464
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide?
The IUPAC name of 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide (CID 140688651) is 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide.
What is the SMILES notation for 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide?
The canonical SMILES for 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide is N#Cc1cccc(CN(CC2CC2)C2CC2c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide?
The InChIKey is QQRCOGWVAGMBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25(13-15-4-5-15)21-11-20(21)18-6-8-19(9-7-18)22(24)26/h1-3,6-10,15,20-21H,4-5,11,13-14H2,(H2,24,26).
What are the key properties of 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide?
4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide is sourced from PubChem (CID 140688651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).