N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide

C21H25N3O2 — CID 119603863

IUPACN-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2CN)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-14-10-11-16(21(26)23-18-9-5-8-17(18)13-22)12-19(14)24-20(25)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyLDQNQOXWWNTURR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide

N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide (PubChem CID 119603863) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
PubChem CID119603863
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2CN)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-14-10-11-16(21(26)23-18-9-5-8-17(18)13-22)12-19(14)24-20(25)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyLDQNQOXWWNTURR-UHFFFAOYSA-N
XLogP3.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide (CID 119603863) is N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC2CN)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide?
The InChIKey is LDQNQOXWWNTURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-10-11-16(21(26)23-18-9-5-8-17(18)13-22)12-19(14)24-20(25)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,22H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide is sourced from PubChem (CID 119603863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).