2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide

C18H22N2O2 — CID 154721131

IUPAC2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide
SMILESCC(C)(NCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2,19-13-15-9-5-3-6-10-15)17(21)20-22-14-16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3,(H,20,21)
InChIKeyYMVIPNPTGBNORA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.80
Rot. Bonds7

About 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide

2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide (PubChem CID 154721131) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide
PubChem CID154721131
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide
SMILESCC(C)(NCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2,19-13-15-9-5-3-6-10-15)17(21)20-22-14-16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3,(H,20,21)
InChIKeyYMVIPNPTGBNORA-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.80
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

(S)-Benzyl (1-(benzylamino)-3-methyl-1-oxobutan-2-yl)carbamate
CID 2363706
N'-hydroxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropan-2-yl]oxamide
CID 44383990
Benzyl N-[(benzylcarbamoyl)methyl]carbamate
CID 3101231
(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide
CID 46902056
N'-phenylmethoxy-N-(3-phenylpropyl)oxamide
CID 76317349
N-(Benzyloxycarbonyl)-L-alanine benzylamide
CID 13689587
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide
CID 47036552
N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 54432541
tert-butyl N-[1-[(4-fluorophenyl)methylamino]propan-2-yl]-N-phenylmethoxycarbamate
CID 87453026
2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-phenylmethoxyacetamide
CID 88053441
4-[Benzyl-[(3-fluorophenyl)methoxy]amino]pyrrolidin-2-one
CID 88294940
benzyl N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 7224745

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide?
The IUPAC name of 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide (CID 154721131) is 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide.
What is the SMILES notation for 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide?
The canonical SMILES for 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide is CC(C)(NCc1ccccc1)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide?
The InChIKey is YMVIPNPTGBNORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,19-13-15-9-5-3-6-10-15)17(21)20-22-14-16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide?
2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide is sourced from PubChem (CID 154721131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).