2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide

C23H23NO3 — CID 19938132

IUPAC2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H23NO3/c1-2-15-24-23(27)21-6-4-3-5-20(21)22(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h3-14,22,25-26H,2,15H2,1H3,(H,24,27)
InChIKeyYWXAFWPQEFYREP-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.42
Rot. Bonds6

About 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide

2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide (PubChem CID 19938132) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide
PubChem CID19938132
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H23NO3/c1-2-15-24-23(27)21-6-4-3-5-20(21)22(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h3-14,22,25-26H,2,15H2,1H3,(H,24,27)
InChIKeyYWXAFWPQEFYREP-UHFFFAOYSA-N
XLogP4.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-hydrazinyl-N-propylbenzamide
CID 62238054
[2-(propylcarbamoyl)phenyl]boronic acid
CID 71302340
2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 15296782
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide?
The IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide (CID 19938132) is 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide?
The canonical SMILES for 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide is CCCNC(=O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide?
The InChIKey is YWXAFWPQEFYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-15-24-23(27)21-6-4-3-5-20(21)22(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h3-14,22,25-26H,2,15H2,1H3,(H,24,27).
What are the key properties of 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide?
2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide has a molecular weight of 361.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide is sourced from PubChem (CID 19938132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).