1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide

C23H29NO3 — CID 100705123

IUPAC1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1
InChIInChI=1S/C23H29NO3/c1-18-16-20(12-13-21(18)27-17-19-10-6-5-7-11-19)24-22(25)23(26-2)14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,24,25)
InChIKeyHUMVDHIUNUUDGX-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.25
Rot. Bonds6

About 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide

1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (PubChem CID 100705123) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
PubChem CID100705123
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1
InChIInChI=1S/C23H29NO3/c1-18-16-20(12-13-21(18)27-17-19-10-6-5-7-11-19)24-22(25)23(26-2)14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,24,25)
InChIKeyHUMVDHIUNUUDGX-UHFFFAOYSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731535
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
trans-(1S,3R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707497
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
ethyl 2-methoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756528
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (CID 100705123) is 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is COC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1.
What is the InChIKey of 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is HUMVDHIUNUUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18-16-20(12-13-21(18)27-17-19-10-6-5-7-11-19)24-22(25)23(26-2)14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,24,25).
What are the key properties of 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 100705123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).