N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide

C18H20N2O3 — CID 95567781

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-7-9-15(10-8-13)23-12-11-16(21)20-17(18(19)22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m1/s1
InChIKeyCQCMHGGNQCPANG-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds7

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide (PubChem CID 95567781) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
PubChem CID95567781
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-7-9-15(10-8-13)23-12-11-16(21)20-17(18(19)22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m1/s1
InChIKeyCQCMHGGNQCPANG-QGZVFWFLSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-(2-phenylphenoxy)propanamide
CID 55623305
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
N-(2-amino-2-oxo-1-phenylethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51315387
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
N-(2-amino-2-oxo-1-phenylethyl)-4-(3-bromophenoxy)butanamide
CID 51308711
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide (CID 95567781) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is CQCMHGGNQCPANG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-9-15(10-8-13)23-12-11-16(21)20-17(18(19)22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 95567781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).