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

C24H31NO3 — CID 100731535

IUPAC1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1
InChIInChI=1S/C24H31NO3/c1-3-28-24(15-9-4-5-10-16-24)23(26)25-21-13-14-22(19(2)17-21)27-18-20-11-7-6-8-12-20/h6-8,11-14,17H,3-5,9-10,15-16,18H2,1-2H3,(H,25,26)
InChIKeyHTUMVJJQMAWKDB-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.64
Rot. Bonds7

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

1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (PubChem CID 100731535) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
PubChem CID100731535
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1
InChIInChI=1S/C24H31NO3/c1-3-28-24(15-9-4-5-10-16-24)23(26)25-21-13-14-22(19(2)17-21)27-18-20-11-7-6-8-12-20/h6-8,11-14,17H,3-5,9-10,15-16,18H2,1-2H3,(H,25,26)
InChIKeyHTUMVJJQMAWKDB-UHFFFAOYSA-N
XLogP5.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate
CID 100761921
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
ethyl 2-butoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762133

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (CID 100731535) is 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1.
What is the InChIKey of 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is HTUMVJJQMAWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-28-24(15-9-4-5-10-16-24)23(26)25-21-13-14-22(19(2)17-21)27-18-20-11-7-6-8-12-20/h6-8,11-14,17H,3-5,9-10,15-16,18H2,1-2H3,(H,25,26).
What are the key properties of 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 100731535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).