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

C23H29NO3 — CID 100731226

IUPAC1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCCC1
InChIInChI=1S/C23H29NO3/c1-2-27-23(16-8-3-4-9-17-23)22(25)24-20-12-14-21(15-13-20)26-18-19-10-6-5-7-11-19/h5-7,10-15H,2-4,8-9,16-18H2,1H3,(H,24,25)
InChIKeyLNUZNOGKKDKQCZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.33
Rot. Bonds7

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

1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (PubChem CID 100731226) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
PubChem CID100731226
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCCC1
InChIInChI=1S/C23H29NO3/c1-2-27-23(16-8-3-4-9-17-23)22(25)24-20-12-14-21(15-13-20)26-18-19-10-6-5-7-11-19/h5-7,10-15H,2-4,8-9,16-18H2,1H3,(H,24,25)
InChIKeyLNUZNOGKKDKQCZ-UHFFFAOYSA-N
XLogP5.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.33
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
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-ethoxy-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 100639318
trans-(1R,3S)-3-methyl-N-(4-phenylmethoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100714548
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729763
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide (CID 100731226) is 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCCC1.
What is the InChIKey of 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is LNUZNOGKKDKQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-2-27-23(16-8-3-4-9-17-23)22(25)24-20-12-14-21(15-13-20)26-18-19-10-6-5-7-11-19/h5-7,10-15H,2-4,8-9,16-18H2,1H3,(H,24,25).
What are the key properties of 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide?
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 100731226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).