N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide

C19H29N3O2 — CID 119566620

IUPACN-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)18(24)22(3)12-15-6-8-16(9-7-15)17(23)21-19(13-20)10-4-5-11-19/h6-9,14H,4-5,10-13,20H2,1-3H3,(H,21,23)
InChIKeyQTFGKJWMWRKADT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.30
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide

N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide (PubChem CID 119566620) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
PubChem CID119566620
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)18(24)22(3)12-15-6-8-16(9-7-15)17(23)21-19(13-20)10-4-5-11-19/h6-9,14H,4-5,10-13,20H2,1-3H3,(H,21,23)
InChIKeyQTFGKJWMWRKADT-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
CID 111459565
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
4-ethyl-1-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120530168
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide (CID 119566620) is N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide is CC(C)C(=O)N(C)Cc1ccc(C(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide?
The InChIKey is QTFGKJWMWRKADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)18(24)22(3)12-15-6-8-16(9-7-15)17(23)21-19(13-20)10-4-5-11-19/h6-9,14H,4-5,10-13,20H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide?
N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 119566620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).