N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide

C25H35NO4 — CID 91741143

IUPACN-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C25H35NO4/c1-2-3-4-5-6-7-8-9-10-11-16-30-24-14-12-20(13-15-24)25(29)26-21-17-22(27)19-23(28)18-21/h12-15,17-19,27-28H,2-11,16H2,1H3,(H,26,29)
InChIKeyQFBCXBBUFHDZJF-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.65
Rot. Bonds14

About N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide

N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide (PubChem CID 91741143) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
PubChem CID91741143
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC NameN-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C25H35NO4/c1-2-3-4-5-6-7-8-9-10-11-16-30-24-14-12-20(13-15-24)25(29)26-21-17-22(27)19-23(28)18-21/h12-15,17-19,27-28H,2-11,16H2,1H3,(H,26,29)
InChIKeyQFBCXBBUFHDZJF-UHFFFAOYSA-N
XLogP6.65
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide (CID 91741143) is N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide is CCCCCCCCCCCCOc1ccc(C(=O)Nc2cc(O)cc(O)c2)cc1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide?
The InChIKey is QFBCXBBUFHDZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c1-2-3-4-5-6-7-8-9-10-11-16-30-24-14-12-20(13-15-24)25(29)26-21-17-22(27)19-23(28)18-21/h12-15,17-19,27-28H,2-11,16H2,1H3,(H,26,29).
What are the key properties of N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide?
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide has a molecular weight of 413.56 g/mol, XLogP of 6.65, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide is sourced from PubChem (CID 91741143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).