N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide

C16H23NO — CID 67593136

IUPACN-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CC1c1cccc(CC)c1
InChIInChI=1S/C16H23NO/c1-4-7-16(18)17(3)15-11-14(15)13-9-6-8-12(5-2)10-13/h6,8-10,14-15H,4-5,7,11H2,1-3H3
InChIKeyGWHKECFWHJKNAD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide

N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide (PubChem CID 67593136) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
PubChem CID67593136
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CC1c1cccc(CC)c1
InChIInChI=1S/C16H23NO/c1-4-7-16(18)17(3)15-11-14(15)13-9-6-8-12(5-2)10-13/h6,8-10,14-15H,4-5,7,11H2,1-3H3
InChIKeyGWHKECFWHJKNAD-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide?
The IUPAC name of N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide (CID 67593136) is N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide?
The canonical SMILES for N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide is CCCC(=O)N(C)C1CC1c1cccc(CC)c1.
What is the InChIKey of N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide?
The InChIKey is GWHKECFWHJKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-7-16(18)17(3)15-11-14(15)13-9-6-8-12(5-2)10-13/h6,8-10,14-15H,4-5,7,11H2,1-3H3.
What are the key properties of N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide?
N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide has a molecular weight of 245.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide is sourced from PubChem (CID 67593136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).