N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide

C22H21NO4 — CID 25114109

IUPACN,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CCCO)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO4/c24-15-1-2-16-3-5-17(6-4-16)22(27)23(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h3-14,24-26H,1-2,15H2
InChIKeyIGYWTHVCTAXWTH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.00
Rot. Bonds6

About N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide

N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide (PubChem CID 25114109) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide
PubChem CID25114109
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CCCO)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO4/c24-15-1-2-16-3-5-17(6-4-16)22(27)23(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h3-14,24-26H,1-2,15H2
InChIKeyIGYWTHVCTAXWTH-UHFFFAOYSA-N
XLogP4.00
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(4-hydroxyphenyl)-N-(4-phenylphenyl)benzamide
CID 23582851
4-(12-hydroxydodecyl)phenol
CID 139809285
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide
CID 25117286
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[4-(N-benzoylanilino)phenyl]-1-phosphonobutane-1-sulfonic acid
CID 19705723
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-[5-(4-hydroxyphenyl)-5-oxopentyl]benzoic acid
CID 72714561
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
3-hydroxy-N-(4-hydroxyphenyl)-N-phenylpropanamide
CID 134339234

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide?
The IUPAC name of N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide (CID 25114109) is N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide?
The canonical SMILES for N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide is O=C(c1ccc(CCCO)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide?
The InChIKey is IGYWTHVCTAXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-15-1-2-16-3-5-17(6-4-16)22(27)23(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h3-14,24-26H,1-2,15H2.
What are the key properties of N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide?
N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide has a molecular weight of 363.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-hydroxyphenyl)-4-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 25114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).