1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide

C17H25N3O2 — CID 119709721

IUPAC1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(21)19-13-6-5-7-14(10-13)20-16(22)17(11-18)8-3-4-9-17/h5-7,10,12H,3-4,8-9,11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYAUZRYBBRWYUNA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds5

About 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 119709721) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID119709721
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(21)19-13-6-5-7-14(10-13)20-16(22)17(11-18)8-3-4-9-17/h5-7,10,12H,3-4,8-9,11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYAUZRYBBRWYUNA-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]oxane-4-carboxamide
CID 120941565

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide (CID 119709721) is 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is YAUZRYBBRWYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15(21)19-13-6-5-7-14(10-13)20-16(22)17(11-18)8-3-4-9-17/h5-7,10,12H,3-4,8-9,11,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119709721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).