N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide

C19H23NO2 — CID 139254557

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N[C@@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,16-11-7-4-8-12-16)13-18(22)20-17(14-21)15-9-5-3-6-10-15/h3-12,17,21H,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyDKBOWKJNMYZWBZ-KRWDZBQOSA-N
MW297.40 g/mol
LogP3.20
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide (PubChem CID 139254557) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
PubChem CID139254557
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N[C@@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,16-11-7-4-8-12-16)13-18(22)20-17(14-21)15-9-5-3-6-10-15/h3-12,17,21H,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyDKBOWKJNMYZWBZ-KRWDZBQOSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
CID 25259507
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methyl-3-phenylbutanamide
CID 96539664
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide (CID 139254557) is N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)N[C@@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide?
The InChIKey is DKBOWKJNMYZWBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,16-11-7-4-8-12-16)13-18(22)20-17(14-21)15-9-5-3-6-10-15/h3-12,17,21H,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 139254557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).