(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide

C16H26N4O2 — CID 96569659

IUPAC(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCN(C)c1cccc(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1
InChIInChI=1S/C16H26N4O2/c1-6-19(4)14-9-7-8-13(10-14)18-16(22)20(5)11-12(2)15(21)17-3/h7-10,12H,6,11H2,1-5H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyKQLLSCJLNPJIJP-GFCCVEGCSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds6

About (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide

(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 96569659) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
PubChem CID96569659
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCN(C)c1cccc(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1
InChIInChI=1S/C16H26N4O2/c1-6-19(4)14-9-7-8-13(10-14)18-16(22)20(5)11-12(2)15(21)17-3/h7-10,12H,6,11H2,1-5H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyKQLLSCJLNPJIJP-GFCCVEGCSA-N
XLogP1.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 106916934
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
(2S)-3-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569550
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569823
3-[(3-bromo-5-fluorophenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 71980660
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide
CID 75421668
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide (CID 96569659) is (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide is CCN(C)c1cccc(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1.
What is the InChIKey of (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is KQLLSCJLNPJIJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-6-19(4)14-9-7-8-13(10-14)18-16(22)20(5)11-12(2)15(21)17-3/h7-10,12H,6,11H2,1-5H3,(H,17,21)(H,18,22)/t12-/m1/s1.
What are the key properties of (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 96569659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).