N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide

C14H18N2O2 — CID 78974691

IUPACN-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16(2)13-7-4-6-12(10-13)11-15/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyKUXYCYZXAPMTMZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds6

About N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide

N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide (PubChem CID 78974691) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
PubChem CID78974691
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16(2)13-7-4-6-12(10-13)11-15/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyKUXYCYZXAPMTMZ-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
CID 103409785
3-[[(3-cyanophenyl)-methylcarbamoyl]-methylamino]propanoic acid
CID 62981867
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide?
The IUPAC name of N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide (CID 78974691) is N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide is CCOCCCC(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide?
The InChIKey is KUXYCYZXAPMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16(2)13-7-4-6-12(10-13)11-15/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide?
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide is sourced from PubChem (CID 78974691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).