3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide

C15H23N3O2 — CID 47322497

IUPAC3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-3-9-16-14(19)8-10-17-15(20)18-11-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyMHGIVXKHCQJBNU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds7

About 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide

3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide (PubChem CID 47322497) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
PubChem CID47322497
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-3-9-16-14(19)8-10-17-15(20)18-11-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyMHGIVXKHCQJBNU-UHFFFAOYSA-N
XLogP1.71
TPSA70.23 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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]butanamide
CID 835678
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
1-[(4-ethylsulfonylphenyl)methyl]-3-propylurea
CID 110775349
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide (CID 47322497) is 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The InChIKey is MHGIVXKHCQJBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-16-14(19)8-10-17-15(20)18-11-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide?
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 47322497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).