3,3-bis(3-hydroxyphenyl)pentanediamide

C17H18N2O4 — CID 142654567

IUPAC3,3-bis(3-hydroxyphenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c18-15(22)9-17(10-16(19)23,11-3-1-5-13(20)7-11)12-4-2-6-14(21)8-12/h1-8,20-21H,9-10H2,(H2,18,22)(H2,19,23)
InChIKeyGJMOPDBQKLYIPD-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.13
Rot. Bonds6

About 3,3-bis(3-hydroxyphenyl)pentanediamide

3,3-bis(3-hydroxyphenyl)pentanediamide (PubChem CID 142654567) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3,3-bis(3-hydroxyphenyl)pentanediamide.

Molecular Properties

Compound Name3,3-bis(3-hydroxyphenyl)pentanediamide
PubChem CID142654567
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3,3-bis(3-hydroxyphenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c18-15(22)9-17(10-16(19)23,11-3-1-5-13(20)7-11)12-4-2-6-14(21)8-12/h1-8,20-21H,9-10H2,(H2,18,22)(H2,19,23)
InChIKeyGJMOPDBQKLYIPD-UHFFFAOYSA-N
XLogP1.13
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diphenylpentanediamide
CID 141227643
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
CID 66323839
3-(3-aminopentan-3-yl)phenol
CID 23618552
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
CID 105459733
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-[1,1,2-tris(phosphanyl)ethyl]phenol
CID 163697012
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-hydroxyphenyl)pentanediamide?
The IUPAC name of 3,3-bis(3-hydroxyphenyl)pentanediamide (CID 142654567) is 3,3-bis(3-hydroxyphenyl)pentanediamide.
What is the SMILES notation for 3,3-bis(3-hydroxyphenyl)pentanediamide?
The canonical SMILES for 3,3-bis(3-hydroxyphenyl)pentanediamide is NC(=O)CC(CC(N)=O)(c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3,3-bis(3-hydroxyphenyl)pentanediamide?
The InChIKey is GJMOPDBQKLYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-15(22)9-17(10-16(19)23,11-3-1-5-13(20)7-11)12-4-2-6-14(21)8-12/h1-8,20-21H,9-10H2,(H2,18,22)(H2,19,23).
What are the key properties of 3,3-bis(3-hydroxyphenyl)pentanediamide?
3,3-bis(3-hydroxyphenyl)pentanediamide has a molecular weight of 314.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-hydroxyphenyl)pentanediamide is sourced from PubChem (CID 142654567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).