1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide

C18H27NO4 — CID 100708275

IUPAC1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO4/c1-14-8-10-18(22-3,11-9-14)17(20)19-15-4-6-16(7-5-15)23-13-12-21-2/h4-7,14H,8-13H2,1-3H3,(H,19,20)
InChIKeyUEGYZFSNMJHOSD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.25
Rot. Bonds7

About 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide

1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 100708275) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
PubChem CID100708275
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO4/c1-14-8-10-18(22-3,11-9-14)17(20)19-15-4-6-16(7-5-15)23-13-12-21-2/h4-7,14H,8-13H2,1-3H3,(H,19,20)
InChIKeyUEGYZFSNMJHOSD-UHFFFAOYSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
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-bromoethoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707995
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706109
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100734194
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide (CID 100708275) is 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1.
What is the InChIKey of 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is UEGYZFSNMJHOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-14-8-10-18(22-3,11-9-14)17(20)19-15-4-6-16(7-5-15)23-13-12-21-2/h4-7,14H,8-13H2,1-3H3,(H,19,20).
What are the key properties of 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide?
1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100708275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).