(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide

C15H22N2O3 — CID 94816352

IUPAC(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
SMILESCOC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(10-20-3)16-15(19)9-14(17-12(2)18)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t11-,14-/m1/s1
InChIKeySCMVGTUOKXWSAI-BXUZGUMPSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds7

About (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide

(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide (PubChem CID 94816352) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
PubChem CID94816352
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
SMILESCOC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(10-20-3)16-15(19)9-14(17-12(2)18)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t11-,14-/m1/s1
InChIKeySCMVGTUOKXWSAI-BXUZGUMPSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 55717227
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
(3R)-3-acetamido-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 8963040
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide (CID 94816352) is (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide is COC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The InChIKey is SCMVGTUOKXWSAI-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(10-20-3)16-15(19)9-14(17-12(2)18)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t11-,14-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 94816352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).