4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

C20H25NO2 — CID 97038568

IUPAC4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-11-9-16(10-12-17)19(23)21-14-13-18(22)15-7-5-4-6-8-15/h4-12,18,22H,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyAJLZCMWWJOLKSN-GOSISDBHSA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds5

About 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (PubChem CID 97038568) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
PubChem CID97038568
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-11-9-16(10-12-17)19(23)21-14-13-18(22)15-7-5-4-6-8-15/h4-12,18,22H,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyAJLZCMWWJOLKSN-GOSISDBHSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-(3-phenylbutyl)benzamide
CID 62403316
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (CID 97038568) is 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The InChIKey is AJLZCMWWJOLKSN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)17-11-9-16(10-12-17)19(23)21-14-13-18(22)15-7-5-4-6-8-15/h4-12,18,22H,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is sourced from PubChem (CID 97038568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).