5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide

C15H23N3O2 — CID 35019095

IUPAC5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCNC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)12-6-8-13(9-7-12)18-14(19)5-3-4-10-17-15(16)20/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)(H3,16,17,20)
InChIKeyWVWJILOQTNVCJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.59
Rot. Bonds7

About 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide

5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide (PubChem CID 35019095) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
PubChem CID35019095
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCNC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)12-6-8-13(9-7-12)18-14(19)5-3-4-10-17-15(16)20/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)(H3,16,17,20)
InChIKeyWVWJILOQTNVCJN-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.59
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-(4-iodophenyl)pentanamide
CID 29404469
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 6-(carbamoylamino)hexanoate
CID 8861348
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-(4-bromo-3-methylphenyl)-5-(carbamoylamino)pentanamide
CID 29206931
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl 2-sulfanylacetate
CID 167147307
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl N-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]carbamate
CID 142369611
5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
CID 160587393
5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
CID 9034708
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide (CID 35019095) is 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide is CC(C)c1ccc(NC(=O)CCCCNC(N)=O)cc1.
What is the InChIKey of 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is WVWJILOQTNVCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)12-6-8-13(9-7-12)18-14(19)5-3-4-10-17-15(16)20/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)(H3,16,17,20).
What are the key properties of 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide?
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 277.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 35019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).