N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide

C15H21NO3 — CID 531821

IUPACN-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyBVAITUYABNDCPN-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.22
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide

N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide (PubChem CID 531821) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
PubChem CID531821
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyBVAITUYABNDCPN-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
2',5'-Dimethoxyacetoacetanilide
CID 80777
2-Chloro-2',5'-dimethoxyacetanilide
CID 30961
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 2862625
N-(3-methoxyphenyl)pivalamide
CID 546358
P-Tolu-M-anisidide
CID 3977580
Fast Blue RR
CID 93116
Fast Violet B
CID 66830
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide (CID 531821) is N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide is COc1ccc(OC)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide?
The InChIKey is BVAITUYABNDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide?
N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 531821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).