N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide

C20H25NO3 — CID 46992721

IUPACN-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C20H25NO3/c1-16(15-22)13-21(14-18-5-3-2-4-6-18)20(24)12-9-17-7-10-19(23)11-8-17/h2-8,10-11,16,22-23H,9,12-15H2,1H3
InChIKeyWBAJNXGTDNIBPW-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.98
Rot. Bonds8

About N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide

N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 46992721) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID46992721
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C20H25NO3/c1-16(15-22)13-21(14-18-5-3-2-4-6-18)20(24)12-9-17-7-10-19(23)11-8-17/h2-8,10-11,16,22-23H,9,12-15H2,1H3
InChIKeyWBAJNXGTDNIBPW-UHFFFAOYSA-N
XLogP2.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 46986143
N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
CID 71423606
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide
CID 50967433
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
4-bromo-1-phenylpentan-3-one
CID 121216753
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide (CID 46992721) is N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide is CC(CO)CN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1.
What is the InChIKey of N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is WBAJNXGTDNIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(15-22)13-21(14-18-5-3-2-4-6-18)20(24)12-9-17-7-10-19(23)11-8-17/h2-8,10-11,16,22-23H,9,12-15H2,1H3.
What are the key properties of N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide?
N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 46992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).