(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide

C12H18N2O2 — CID 104898288

IUPAC(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
SMILESCC(C)CONC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCASNKAQRDPLGRV-NSHDSACASA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds5

About (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide

(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide (PubChem CID 104898288) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
PubChem CID104898288
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
SMILESCC(C)CONC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCASNKAQRDPLGRV-NSHDSACASA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-ethoxy-2-phenylacetamide
CID 64974581
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
N-(2-methylpropoxy)-2-phenoxypropanamide
CID 113304383
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
2-amino-2-(4-methylphenyl)-N-phenylmethoxyacetamide
CID 106151599
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-ethyl-2-phenylacetamide
CID 22262703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide (CID 104898288) is (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide is CC(C)CONC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide?
The InChIKey is CASNKAQRDPLGRV-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide?
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide is sourced from PubChem (CID 104898288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).