N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide

C16H25NO2 — CID 117060748

IUPACN-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(12-19-5)17(15(18)16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3
InChIKeyHHXXHTZWQCJLRV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide

N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 117060748) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
PubChem CID117060748
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(12-19-5)17(15(18)16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3
InChIKeyHHXXHTZWQCJLRV-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
benzyl(butan-2-yl)carbamic acid
CID 18954164
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 118957425
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide (CID 117060748) is N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide is COCC(C)N(Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is HHXXHTZWQCJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(12-19-5)17(15(18)16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3.
What are the key properties of N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 117060748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).