4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide

C18H25N3O3 — CID 121062258

IUPAC4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-2-16(22)19-11-12-20-17(23)14-7-9-15(10-8-14)21-18(24)13-5-3-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUUETXNZNSMPQQL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.07
Rot. Bonds7

About 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide

4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062258) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062258
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-2-16(22)19-11-12-20-17(23)14-7-9-15(10-8-14)21-18(24)13-5-3-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUUETXNZNSMPQQL-UHFFFAOYSA-N
XLogP2.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide (CID 121062258) is 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is UUETXNZNSMPQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-16(22)19-11-12-20-17(23)14-7-9-15(10-8-14)21-18(24)13-5-3-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide?
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).