5-(benzylcarbamoylamino)pentanamide

C13H19N3O2 — CID 106235188

IUPAC5-(benzylcarbamoylamino)pentanamide
SMILESNC(=O)CCCCNC(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-13(18)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,14,17)(H2,15,16,18)
InChIKeyDOOFFWWQCMDXTK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds7

About 5-(benzylcarbamoylamino)pentanamide

5-(benzylcarbamoylamino)pentanamide (PubChem CID 106235188) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(benzylcarbamoylamino)pentanamide.

Molecular Properties

Compound Name5-(benzylcarbamoylamino)pentanamide
PubChem CID106235188
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(benzylcarbamoylamino)pentanamide
SMILESNC(=O)CCCCNC(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-13(18)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,14,17)(H2,15,16,18)
InChIKeyDOOFFWWQCMDXTK-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
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

3-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]benzoic acid
CID 106238853
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;dihydrochloride
CID 127052927
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;hydrochloride
CID 118728395
4-(benzylcarbamoylamino)butylphosphonic acid
CID 167094446
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
N'-benzylbutanediamide
CID 4682951
1-benzyl-3-(4-isothiocyanatobutyl)urea
CID 155519311
benzene;benzylurea;hydrazine
CID 68793593
3-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]benzoic acid
CID 61201704
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110

Frequently Asked Questions

What is the IUPAC name of 5-(benzylcarbamoylamino)pentanamide?
The IUPAC name of 5-(benzylcarbamoylamino)pentanamide (CID 106235188) is 5-(benzylcarbamoylamino)pentanamide.
What is the SMILES notation for 5-(benzylcarbamoylamino)pentanamide?
The canonical SMILES for 5-(benzylcarbamoylamino)pentanamide is NC(=O)CCCCNC(=O)NCc1ccccc1.
What is the InChIKey of 5-(benzylcarbamoylamino)pentanamide?
The InChIKey is DOOFFWWQCMDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-13(18)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,14,17)(H2,15,16,18).
What are the key properties of 5-(benzylcarbamoylamino)pentanamide?
5-(benzylcarbamoylamino)pentanamide has a molecular weight of 249.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylcarbamoylamino)pentanamide is sourced from PubChem (CID 106235188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).