N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide

C19H28N2O3 — CID 2567991

IUPACN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-24-17-11-9-15(10-12-17)14-21(2)18(22)13-20-19(23)16-7-5-4-6-8-16/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,23)
InChIKeyFWWXIPNOSNFOID-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.74
Rot. Bonds7

About N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2567991) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2567991
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-24-17-11-9-15(10-12-17)14-21(2)18(22)13-20-19(23)16-7-5-4-6-8-16/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,23)
InChIKeyFWWXIPNOSNFOID-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
Ambucetamide
CID 10616
(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
Tiropramide
CID 42262
Evenamide
CID 25105689
NE 21610
CID 6441194
PD-173212
CID 9916734
Vixotrigine Hydrochloride
CID 16046067
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 2567991) is N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide is CCOc1ccc(CN(C)C(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is FWWXIPNOSNFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-17-11-9-15(10-12-17)14-21(2)18(22)13-20-19(23)16-7-5-4-6-8-16/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2567991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).