N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide

C18H27NO3 — CID 110001751

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
SMILESCC(C)(CC1CCOCC1)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,12-14-8-10-22-11-9-14)17(21)19-16(13-20)15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyZPWOXVKDNDVUSK-MRXNPFEDSA-N
MW305.42 g/mol
LogP2.68
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide (PubChem CID 110001751) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
PubChem CID110001751
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
SMILESCC(C)(CC1CCOCC1)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,12-14-8-10-22-11-9-14)17(21)19-16(13-20)15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyZPWOXVKDNDVUSK-MRXNPFEDSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028480
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid
CID 126434254

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide (CID 110001751) is N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide is CC(C)(CC1CCOCC1)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide?
The InChIKey is ZPWOXVKDNDVUSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,12-14-8-10-22-11-9-14)17(21)19-16(13-20)15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 110001751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).