5-(carbamoylamino)-N-(3-methylphenyl)pentanamide

C13H19N3O2 — CID 9039147

IUPAC5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
SMILESCc1cccc(NC(=O)CCCCNC(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-10-5-4-6-11(9-10)16-12(17)7-2-3-8-15-13(14)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H3,14,15,18)
InChIKeyZWSWRCDJZKLDGJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.77
Rot. Bonds6

About 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide

5-(carbamoylamino)-N-(3-methylphenyl)pentanamide (PubChem CID 9039147) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
PubChem CID9039147
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
SMILESCc1cccc(NC(=O)CCCCNC(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-10-5-4-6-11(9-10)16-12(17)7-2-3-8-15-13(14)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H3,14,15,18)
InChIKeyZWSWRCDJZKLDGJ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
CID 47114708
N-(4-bromo-3-methylphenyl)-5-(carbamoylamino)pentanamide
CID 29206931
5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 38207270
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
CID 29404469
2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide
CID 47114643
(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide
CID 88961782

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide (CID 9039147) is 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide is Cc1cccc(NC(=O)CCCCNC(N)=O)c1.
What is the InChIKey of 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide?
The InChIKey is ZWSWRCDJZKLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-4-6-11(9-10)16-12(17)7-2-3-8-15-13(14)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H3,14,15,18).
What are the key properties of 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide?
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide has a molecular weight of 249.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(3-methylphenyl)pentanamide is sourced from PubChem (CID 9039147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).