N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide

C15H22N2O — CID 113355949

IUPACN-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
SMILESCCc1cc(NCC(=O)N(C)C2CC2)ccc1C
InChIInChI=1S/C15H22N2O/c1-4-12-9-13(6-5-11(12)2)16-10-15(18)17(3)14-7-8-14/h5-6,9,14,16H,4,7-8,10H2,1-3H3
InChIKeyVOYWRDRRPACQGA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.59
Rot. Bonds5

About N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide

N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide (PubChem CID 113355949) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
PubChem CID113355949
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
SMILESCCc1cc(NCC(=O)N(C)C2CC2)ccc1C
InChIInChI=1S/C15H22N2O/c1-4-12-9-13(6-5-11(12)2)16-10-15(18)17(3)14-7-8-14/h5-6,9,14,16H,4,7-8,10H2,1-3H3
InChIKeyVOYWRDRRPACQGA-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide (CID 113355949) is N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide is CCc1cc(NCC(=O)N(C)C2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide?
The InChIKey is VOYWRDRRPACQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12-9-13(6-5-11(12)2)16-10-15(18)17(3)14-7-8-14/h5-6,9,14,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide?
N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide is sourced from PubChem (CID 113355949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).