N-(1-methoxy-2-methylpropyl)-2-phenylacetamide

C13H19NO2 — CID 58769252

IUPACN-(1-methoxy-2-methylpropyl)-2-phenylacetamide
SMILESCOC(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)13(16-3)14-12(15)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,14,15)
InChIKeyONXGJVBLHFXROU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

About N-(1-methoxy-2-methylpropyl)-2-phenylacetamide

N-(1-methoxy-2-methylpropyl)-2-phenylacetamide (PubChem CID 58769252) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropyl)-2-phenylacetamide
PubChem CID58769252
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(1-methoxy-2-methylpropyl)-2-phenylacetamide
SMILESCOC(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)13(16-3)14-12(15)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,14,15)
InChIKeyONXGJVBLHFXROU-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
methyl (2S)-3-amino-2-[(2-phenylacetyl)amino]propanoate
CID 54366760
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
CID 142272492
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropyl)-2-phenylacetamide?
The IUPAC name of N-(1-methoxy-2-methylpropyl)-2-phenylacetamide (CID 58769252) is N-(1-methoxy-2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for N-(1-methoxy-2-methylpropyl)-2-phenylacetamide is COC(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of N-(1-methoxy-2-methylpropyl)-2-phenylacetamide?
The InChIKey is ONXGJVBLHFXROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)13(16-3)14-12(15)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxy-2-methylpropyl)-2-phenylacetamide?
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 58769252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).