5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide

C14H21N3O2 — CID 33239098

IUPAC5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CNC(=O)CCCCNC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-11-5-7-12(8-6-11)10-17-13(18)4-2-3-9-16-14(15)19/h5-8H,2-4,9-10H2,1H3,(H,17,18)(H3,15,16,19)
InChIKeyIXNJKJNHNHZNDL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds7

About 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide

5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide (PubChem CID 33239098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
PubChem CID33239098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CNC(=O)CCCCNC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-11-5-7-12(8-6-11)10-17-13(18)4-2-3-9-16-14(15)19/h5-8H,2-4,9-10H2,1H3,(H,17,18)(H3,15,16,19)
InChIKeyIXNJKJNHNHZNDL-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
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

6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide (CID 33239098) is 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide is Cc1ccc(CNC(=O)CCCCNC(N)=O)cc1.
What is the InChIKey of 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide?
The InChIKey is IXNJKJNHNHZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-7-12(8-6-11)10-17-13(18)4-2-3-9-16-14(15)19/h5-8H,2-4,9-10H2,1H3,(H,17,18)(H3,15,16,19).
What are the key properties of 5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide?
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 1.45, 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-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 33239098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).