(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide

C15H23N3O2 — CID 8907646

IUPAC(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C15H23N3O2/c1-5-12-6-8-13(9-7-12)10-18(4)11(2)14(19)17-15(20)16-3/h6-9,11H,5,10H2,1-4H3,(H2,16,17,19,20)/t11-/m0/s1
InChIKeyYNADBQBRHWRXKO-NSHDSACASA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide

(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 8907646) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID8907646
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C15H23N3O2/c1-5-12-6-8-13(9-7-12)10-18(4)11(2)14(19)17-15(20)16-3/h6-9,11H,5,10H2,1-4H3,(H2,16,17,19,20)/t11-/m0/s1
InChIKeyYNADBQBRHWRXKO-NSHDSACASA-N
XLogP1.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483
2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135
(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 8907646) is (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is CCc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC)cc1.
What is the InChIKey of (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is YNADBQBRHWRXKO-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-12-6-8-13(9-7-12)10-18(4)11(2)14(19)17-15(20)16-3/h6-9,11H,5,10H2,1-4H3,(H2,16,17,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8907646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).