N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide

C20H23N3O2 — CID 119567292

IUPACN-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
SMILESNCC1(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCCC1
InChIInChI=1S/C20H23N3O2/c21-14-20(12-4-5-13-20)23-19(25)16-8-10-17(11-9-16)22-18(24)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14,21H2,(H,22,24)(H,23,25)
InChIKeyNSWAMBMLQVJXDY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide

N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide (PubChem CID 119567292) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
PubChem CID119567292
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
SMILESNCC1(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCCC1
InChIInChI=1S/C20H23N3O2/c21-14-20(12-4-5-13-20)23-19(25)16-8-10-17(11-9-16)22-18(24)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14,21H2,(H,22,24)(H,23,25)
InChIKeyNSWAMBMLQVJXDY-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119565508
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 119568158
N-[1-(aminomethyl)cyclopentyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 119566915

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide (CID 119567292) is N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide is NCC1(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide?
The InChIKey is NSWAMBMLQVJXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-14-20(12-4-5-13-20)23-19(25)16-8-10-17(11-9-16)22-18(24)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14,21H2,(H,22,24)(H,23,25).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide?
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide is sourced from PubChem (CID 119567292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).