4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide

C29H35NO4 — CID 58658276

IUPAC4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C29H35NO4/c1-20-14-15-26(21(2)18-20)33-17-9-8-16-30-29(32)25-19-27(34-22-10-4-3-5-11-22)23-12-6-7-13-24(23)28(25)31/h6-7,12-15,18-19,22,31H,3-5,8-11,16-17H2,1-2H3,(H,30,32)
InChIKeyYECNMAIUUXMZIU-UHFFFAOYSA-N
MW461.60 g/mol
LogP6.46
Rot. Bonds9

About 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide

4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 58658276) has the molecular formula C29H35NO4 and a molecular weight of 461.60 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID58658276
Molecular FormulaC29H35NO4
Molecular Weight461.60 g/mol
Exact Mass461.26
IUPAC Name4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C29H35NO4/c1-20-14-15-26(21(2)18-20)33-17-9-8-16-30-29(32)25-19-27(34-22-10-4-3-5-11-22)23-12-6-7-13-24(23)28(25)31/h6-7,12-15,18-19,22,31H,3-5,8-11,16-17H2,1-2H3,(H,30,32)
InChIKeyYECNMAIUUXMZIU-UHFFFAOYSA-N
XLogP6.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 22948480
4-(2-butoxy-5-methylphenyl)sulfanyl-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
CID 59109681
3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxynaphthalen-1-yl]amino]prop-2-ynoic acid
CID 20589160
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
hexadecyl [3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl] carbonate
CID 59109670
N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 54134586
2-[2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethoxy]acetic acid
CID 59079335
4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide
CID 22095856
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
4-amino-N-[4-(2,4-ditert-butylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 3023309
4-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide
CID 20565542
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide (CID 58658276) is 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide is Cc1ccc(OCCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1.
What is the InChIKey of 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is YECNMAIUUXMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4/c1-20-14-15-26(21(2)18-20)33-17-9-8-16-30-29(32)25-19-27(34-22-10-4-3-5-11-22)23-12-6-7-13-24(23)28(25)31/h6-7,12-15,18-19,22,31H,3-5,8-11,16-17H2,1-2H3,(H,30,32).
What are the key properties of 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 58658276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).