3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide

C22H29NO2 — CID 4318636

IUPAC3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccccc1)c1ccc(C)cc1O
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)22(25)16-20(18-9-7-6-8-10-18)19-12-11-17(3)15-21(19)24/h6-12,15,20,24H,4-5,13-14,16H2,1-3H3
InChIKeyPKYPEPKYXSPHNV-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.87
Rot. Bonds8

About 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide

3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide (PubChem CID 4318636) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide
PubChem CID4318636
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccccc1)c1ccc(C)cc1O
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)22(25)16-20(18-9-7-6-8-10-18)19-12-11-17(3)15-21(19)24/h6-12,15,20,24H,4-5,13-14,16H2,1-3H3
InChIKeyPKYPEPKYXSPHNV-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N,N-dipropylpropanamide
CID 42784088
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 2902940
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
CID 62110663
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 974812
ethyl (3R)-3-amino-3-(2-hydroxy-4-methylphenyl)propanoate;hydrochloride
CID 171212429
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
CID 71322891

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide?
The IUPAC name of 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide (CID 4318636) is 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(c1ccccc1)c1ccc(C)cc1O.
What is the InChIKey of 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide?
The InChIKey is PKYPEPKYXSPHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)22(25)16-20(18-9-7-6-8-10-18)19-12-11-17(3)15-21(19)24/h6-12,15,20,24H,4-5,13-14,16H2,1-3H3.
What are the key properties of 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide?
3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide is sourced from PubChem (CID 4318636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).