3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide

C17H23N3O3 — CID 46434201

IUPAC3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)C2CCCC2)c1C
InChIInChI=1S/C17H23N3O3/c1-11-13(17(23)18-2)8-5-9-14(11)20-15(21)10-19-16(22)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyPNBBJPCOINZLFA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.60
Rot. Bonds5

About 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide

3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide (PubChem CID 46434201) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
PubChem CID46434201
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)C2CCCC2)c1C
InChIInChI=1S/C17H23N3O3/c1-11-13(17(23)18-2)8-5-9-14(11)20-15(21)10-19-16(22)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyPNBBJPCOINZLFA-UHFFFAOYSA-N
XLogP1.60
TPSA87.30 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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide (CID 46434201) is 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)CNC(=O)C2CCCC2)c1C.
What is the InChIKey of 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide?
The InChIKey is PNBBJPCOINZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-13(17(23)18-2)8-5-9-14(11)20-15(21)10-19-16(22)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide?
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 46434201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).