(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide

C20H25NO3 — CID 124841397

IUPAC(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide
SMILESCCCOc1ccc(CNC(=O)C[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-3-11-24-18-10-9-17(15(2)12-18)14-21-20(23)13-19(22)16-7-5-4-6-8-16/h4-10,12,19,22H,3,11,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyAKLBDSQKCZJABQ-IBGZPJMESA-N
MW327.42 g/mol
LogP3.52
Rot. Bonds8

About (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide

(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 124841397) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID124841397
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide
SMILESCCCOc1ccc(CNC(=O)C[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-3-11-24-18-10-9-17(15(2)12-18)14-21-20(23)13-19(22)16-7-5-4-6-8-16/h4-10,12,19,22H,3,11,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyAKLBDSQKCZJABQ-IBGZPJMESA-N
XLogP3.52
TPSA58.56 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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 119045965
3-(furan-3-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]propanamide
CID 119046393
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
5-[(2-methyl-4-propoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122056302
(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99834426
1-(2-methyl-4-propoxyphenyl)heptan-4-one
CID 83936884
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide (CID 124841397) is (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide is CCCOc1ccc(CNC(=O)C[C@H](O)c2ccccc2)c(C)c1.
What is the InChIKey of (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is AKLBDSQKCZJABQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-11-24-18-10-9-17(15(2)12-18)14-21-20(23)13-19(22)16-7-5-4-6-8-16/h4-10,12,19,22H,3,11,13-14H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide?
(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 327.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 124841397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).