N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide

C18H27NO3 — CID 100703561

IUPACN-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-3-4-14-22-16-10-8-15(9-11-16)19-17(20)18(21-2)12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyIRJCEMAYJZDCFG-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.15
Rot. Bonds7

About N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide

N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide (PubChem CID 100703561) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
PubChem CID100703561
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-3-4-14-22-16-10-8-15(9-11-16)19-17(20)18(21-2)12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyIRJCEMAYJZDCFG-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide (CID 100703561) is N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The InChIKey is IRJCEMAYJZDCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-4-14-22-16-10-8-15(9-11-16)19-17(20)18(21-2)12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3,(H,19,20).
What are the key properties of N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide?
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).