N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C16H24N2O3 — CID 63182177

IUPACN-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(17-15(21)16(2,3)4)14(20)18-13(10-19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyHOSIUEOZQVCRSY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.39
Rot. Bonds5

About N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 63182177) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID63182177
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(17-15(21)16(2,3)4)14(20)18-13(10-19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyHOSIUEOZQVCRSY-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110004631
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
CID 95616236
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 18380270
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 63182177) is N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HOSIUEOZQVCRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17-15(21)16(2,3)4)14(20)18-13(10-19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).