2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide

C21H27NO4 — CID 143655127

IUPAC2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide
SMILESCCCN(Cc1cccc(OC)c1)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C21H27NO4/c1-5-9-22(13-15-7-6-8-16(10-15)26-4)21(25)18-11-17(14(2)3)19(23)12-20(18)24/h6-8,10-12,14,23-24H,5,9,13H2,1-4H3
InChIKeyCDWYHHXDCYLJEB-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.28
Rot. Bonds7

About 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide

2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide (PubChem CID 143655127) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide
PubChem CID143655127
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide
SMILESCCCN(Cc1cccc(OC)c1)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C21H27NO4/c1-5-9-22(13-15-7-6-8-16(10-15)26-4)21(25)18-11-17(14(2)3)19(23)12-20(18)24/h6-8,10-12,14,23-24H,5,9,13H2,1-4H3
InChIKeyCDWYHHXDCYLJEB-UHFFFAOYSA-N
XLogP4.28
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
3-methoxy-N,N-dipropylbenzamide
CID 669439
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 80679564
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea
CID 119072067

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide (CID 143655127) is 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide is CCCN(Cc1cccc(OC)c1)C(=O)c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide?
The InChIKey is CDWYHHXDCYLJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-9-22(13-15-7-6-8-16(10-15)26-4)21(25)18-11-17(14(2)3)19(23)12-20(18)24/h6-8,10-12,14,23-24H,5,9,13H2,1-4H3.
What are the key properties of 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide?
2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 143655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).