(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide

C12H17N3O2 — CID 28835532

IUPAC(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(N[C@@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-7-4-8(2)6-10(5-7)14-9(3)11(16)15-12(13)17/h4-6,9,14H,1-3H3,(H3,13,15,16,17)/t9-/m0/s1
InChIKeyHRIYRCWEQBLUHE-VIFPVBQESA-N
MW235.29 g/mol
LogP1.30
Rot. Bonds3

About (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide

(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide (PubChem CID 28835532) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
PubChem CID28835532
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(N[C@@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-7-4-8(2)6-10(5-7)14-9(3)11(16)15-12(13)17/h4-6,9,14H,1-3H3,(H3,13,15,16,17)/t9-/m0/s1
InChIKeyHRIYRCWEQBLUHE-VIFPVBQESA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide
CID 43086461
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylanilino)propanamide
CID 51242692

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide (CID 28835532) is (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide is Cc1cc(C)cc(N[C@@H](C)C(=O)NC(N)=O)c1.
What is the InChIKey of (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide?
The InChIKey is HRIYRCWEQBLUHE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-4-8(2)6-10(5-7)14-9(3)11(16)15-12(13)17/h4-6,9,14H,1-3H3,(H3,13,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide?
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide is sourced from PubChem (CID 28835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).