[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium

C20H25N2O3+ — CID 7492661

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-13(18-7-5-6-8-19(18)25-4)21-14(2)20(24)22-17-11-9-16(10-12-17)15(3)23/h5-14,21H,1-4H3,(H,22,24)/p+1/t13-,14+/m1/s1
InChIKeyUGYWGXRPLAWTAL-KGLIPLIRSA-O
MW341.43 g/mol
LogP2.55
Rot. Bonds7

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium (PubChem CID 7492661) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium
PubChem CID7492661
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-13(18-7-5-6-8-19(18)25-4)21-14(2)20(24)22-17-11-9-16(10-12-17)15(3)23/h5-14,21H,1-4H3,(H,22,24)/p+1/t13-,14+/m1/s1
InChIKeyUGYWGXRPLAWTAL-KGLIPLIRSA-O
XLogP2.55
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium with MolForge

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Related Compounds

[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526697
(2R)-N-(4-acetylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7871639
(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 26477999
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 2096080
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium (CID 7492661) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is UGYWGXRPLAWTAL-KGLIPLIRSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-13(18-7-5-6-8-19(18)25-4)21-14(2)20(24)22-17-11-9-16(10-12-17)15(3)23/h5-14,21H,1-4H3,(H,22,24)/p+1/t13-,14+/m1/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 341.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 7492661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).