(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide

C17H27N3O2 — CID 96569823

IUPAC(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCc1ccc(CC)c(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1
InChIInChI=1S/C17H27N3O2/c1-6-13-8-9-14(7-2)15(10-13)19-17(22)20(5)11-12(3)16(21)18-4/h8-10,12H,6-7,11H2,1-5H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyQTQNXVCPUWQEAC-GFCCVEGCSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds6

About (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide

(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 96569823) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
PubChem CID96569823
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCc1ccc(CC)c(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1
InChIInChI=1S/C17H27N3O2/c1-6-13-8-9-14(7-2)15(10-13)19-17(22)20(5)11-12(3)16(21)18-4/h8-10,12H,6-7,11H2,1-5H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyQTQNXVCPUWQEAC-GFCCVEGCSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
4-(2,5-diethylanilino)-3-methyl-4-oxobutanoic acid
CID 146081775
3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 106916934
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
CID 119036850
(2S)-3-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569550
3-amino-N-(2,5-diethylphenyl)butanamide
CID 119817500
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
3-[(3-bromo-5-fluorophenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 71980660
3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
CID 96569745

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide (CID 96569823) is (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide is CCc1ccc(CC)c(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1.
What is the InChIKey of (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is QTQNXVCPUWQEAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13-8-9-14(7-2)15(10-13)19-17(22)20(5)11-12(3)16(21)18-4/h8-10,12H,6-7,11H2,1-5H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 96569823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).