2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide

C14H21NO2 — CID 94625062

IUPAC2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
SMILESC[C@@H](COc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(15-13(16)14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyOXKYHHQGGVMYEQ-NSHDSACASA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide (PubChem CID 94625062) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
PubChem CID94625062
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
SMILESC[C@@H](COc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(15-13(16)14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyOXKYHHQGGVMYEQ-NSHDSACASA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2-(diethylamino)-N-(1-phenoxypropan-2-yl)acetamide;hydrochloride
CID 86131019
N'-(1-phenoxypropan-2-yl)ethanedithioamide
CID 54378376
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide (CID 94625062) is 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide is C[C@@H](COc1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide?
The InChIKey is OXKYHHQGGVMYEQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-13(16)14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide is sourced from PubChem (CID 94625062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).