N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide

C18H25NO2 — CID 177177515

IUPACN-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide
SMILESCCNC(=O)c1ccc(C(=O)C2CCCCC(C)C2)cc1
InChIInChI=1S/C18H25NO2/c1-3-19-18(21)15-10-8-14(9-11-15)17(20)16-7-5-4-6-13(2)12-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyYTSZIOJOOQMVRI-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.84
Rot. Bonds4

About N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide

N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide (PubChem CID 177177515) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide
PubChem CID177177515
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide
SMILESCCNC(=O)c1ccc(C(=O)C2CCCCC(C)C2)cc1
InChIInChI=1S/C18H25NO2/c1-3-19-18(21)15-10-8-14(9-11-15)17(20)16-7-5-4-6-13(2)12-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyYTSZIOJOOQMVRI-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
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4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
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CID 63360547

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide?
The IUPAC name of N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide (CID 177177515) is N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide.
What is the SMILES notation for N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide?
The canonical SMILES for N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide is CCNC(=O)c1ccc(C(=O)C2CCCCC(C)C2)cc1.
What is the InChIKey of N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide?
The InChIKey is YTSZIOJOOQMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-19-18(21)15-10-8-14(9-11-15)17(20)16-7-5-4-6-13(2)12-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide?
N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide is sourced from PubChem (CID 177177515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).