N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide

C17H23N3O3 — CID 131942717

IUPACN-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)19-13-7-5-6-12(10-13)15(22)20-17(16(18)23)8-3-4-9-17/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyROHSMHOBIYVJLJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.81
Rot. Bonds5

About N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide

N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 131942717) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID131942717
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)19-13-7-5-6-12(10-13)15(22)20-17(16(18)23)8-3-4-9-17/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyROHSMHOBIYVJLJ-UHFFFAOYSA-N
XLogP1.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.81
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-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
3-(2-aminopropanoylamino)benzamide
CID 61258270
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70749423
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide (CID 131942717) is N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is ROHSMHOBIYVJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(21)19-13-7-5-6-12(10-13)15(22)20-17(16(18)23)8-3-4-9-17/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide?
N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 131942717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).