(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one

C18H22N2O3 — CID 164976966

IUPAC(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(C)=O)cc1.NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H12O2.C8H10N2O/c1-8(11)7-9-3-5-10(12-2)6-4-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-6H,7H2,1-2H3;1-5,7H,9H2,(H2,10,11)/t;7-/m.0/s1
InChIKeyDXSNMCIUBAXRKE-ZLTKDMPESA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one

(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one (PubChem CID 164976966) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
PubChem CID164976966
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(C)=O)cc1.NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H12O2.C8H10N2O/c1-8(11)7-9-3-5-10(12-2)6-4-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-6H,7H2,1-2H3;1-5,7H,9H2,(H2,10,11)/t;7-/m.0/s1
InChIKeyDXSNMCIUBAXRKE-ZLTKDMPESA-N
XLogP2.00
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine
CID 10539781
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
anisole;butan-2-one
CID 67379528
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
benzene;1-phenylpropan-2-one
CID 21430852
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
CID 95588807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one?
The IUPAC name of (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one (CID 164976966) is (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one is COc1ccc(CC(C)=O)cc1.NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one?
The InChIKey is DXSNMCIUBAXRKE-ZLTKDMPESA-N. The full InChI is InChI=1S/C10H12O2.C8H10N2O/c1-8(11)7-9-3-5-10(12-2)6-4-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-6H,7H2,1-2H3;1-5,7H,9H2,(H2,10,11)/t;7-/m.0/s1.
What are the key properties of (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one?
(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 164976966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).