N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide

C13H19NO2 — CID 95358537

IUPACN-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
SMILESCC[C@H](C)NC(=O)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyBUALDCKTQLCKHD-NSHDSACASA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide

N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide (PubChem CID 95358537) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
PubChem CID95358537
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
SMILESCC[C@H](C)NC(=O)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyBUALDCKTQLCKHD-NSHDSACASA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
CID 91163691
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
2-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92868083
5-[[2-(butan-2-ylamino)-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46319969
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-butyl-2-phenylmethoxyacetamide
CID 126717674

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide (CID 95358537) is N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide is CC[C@H](C)NC(=O)COCc1ccccc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide?
The InChIKey is BUALDCKTQLCKHD-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide?
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 95358537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).