2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide

C14H21N3O2 — CID 112766085

IUPAC2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-12(11-7-5-9(2)6-8-11)17-13(18)10(3)16-14(15)19/h5-8,10,12H,4H2,1-3H3,(H,17,18)(H3,15,16,19)
InChIKeyHPEQUCGAIACJSI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds5

About 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide

2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 112766085) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID112766085
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-12(11-7-5-9(2)6-8-11)17-13(18)10(3)16-14(15)19/h5-8,10,12H,4H2,1-3H3,(H,17,18)(H3,15,16,19)
InChIKeyHPEQUCGAIACJSI-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
(2S)-2-(carbamoylamino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 32710807
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide (CID 112766085) is 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)NC(N)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is HPEQUCGAIACJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12(11-7-5-9(2)6-8-11)17-13(18)10(3)16-14(15)19/h5-8,10,12H,4H2,1-3H3,(H,17,18)(H3,15,16,19).
What are the key properties of 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide?
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 112766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).