(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide

C14H19ClN2O3 — CID 95767278

IUPAC(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
SMILESCOC[C@@](C)(NC(=O)CCc1ccccc1Cl)C(N)=O
InChIInChI=1S/C14H19ClN2O3/c1-14(9-20-2,13(16)19)17-12(18)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,16,19)(H,17,18)/t14-/m1/s1
InChIKeyXJLFIPBKWMQNDO-CQSZACIVSA-N
MW298.77 g/mol
LogP1.28
Rot. Bonds7

About (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide

(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide (PubChem CID 95767278) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
PubChem CID95767278
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
SMILESCOC[C@@](C)(NC(=O)CCc1ccccc1Cl)C(N)=O
InChIInChI=1S/C14H19ClN2O3/c1-14(9-20-2,13(16)19)17-12(18)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,16,19)(H,17,18)/t14-/m1/s1
InChIKeyXJLFIPBKWMQNDO-CQSZACIVSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
carbamoyl 3-(2-chlorophenyl)propanoate
CID 174469529
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876817
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
CID 144705844
methyl 5-(2-chlorophenyl)-3-methoxypent-2-enoate
CID 54022305
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
4-(2-chlorophenyl)-N-(2-cyanopropan-2-yl)butanamide
CID 110605586
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide?
The IUPAC name of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide (CID 95767278) is (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide is COC[C@@](C)(NC(=O)CCc1ccccc1Cl)C(N)=O.
What is the InChIKey of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide?
The InChIKey is XJLFIPBKWMQNDO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(9-20-2,13(16)19)17-12(18)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H2,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide?
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 95767278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).