(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide

C15H23N3O2 — CID 26582952

IUPAC(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-9-7-6-8-11(13)2/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyDWGLQZVSNBNOAE-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.66
Rot. Bonds5

About (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide

(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 26582952) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID26582952
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-9-7-6-8-11(13)2/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyDWGLQZVSNBNOAE-LBPRGKRZSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide (CID 26582952) is (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide is CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1C.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is DWGLQZVSNBNOAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-9-7-6-8-11(13)2/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 26582952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).