N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H25NO2 — CID 113198451

IUPACN-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C18H25NO2/c1-21-16-10-8-14(9-11-16)18(12-13-18)17(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyYGVQXMVBEJUYJE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.57
Rot. Bonds4

About N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113198451) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID113198451
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C18H25NO2/c1-21-16-10-8-14(9-11-16)18(12-13-18)17(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyYGVQXMVBEJUYJE-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-cyclohexyl-4-hydroxy-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 645525
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119063443

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 113198451) is N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is YGVQXMVBEJUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-16-10-8-14(9-11-16)18(12-13-18)17(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).