N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide

C14H21N3O2 — CID 62050254

IUPACN-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
SMILESCCC(NC(C)C(=O)NC(=O)NC)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-12(11-8-6-5-7-9-11)16-10(2)13(18)17-14(19)15-3/h5-10,12,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyVSLZGKMPQWNRRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds5

About N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide

N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide (PubChem CID 62050254) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
PubChem CID62050254
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
SMILESCCC(NC(C)C(=O)NC(=O)NC)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-12(11-8-6-5-7-9-11)16-10(2)13(18)17-14(19)15-3/h5-10,12,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyVSLZGKMPQWNRRO-UHFFFAOYSA-N
XLogP1.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 95302028
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 51925594
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide (CID 62050254) is N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide is CCC(NC(C)C(=O)NC(=O)NC)c1ccccc1.
What is the InChIKey of N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide?
The InChIKey is VSLZGKMPQWNRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12(11-8-6-5-7-9-11)16-10(2)13(18)17-14(19)15-3/h5-10,12,16H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide?
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide is sourced from PubChem (CID 62050254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).