N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide

C19H28N2O3 — CID 133205393

IUPACN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-5-7-8-11-19(3,24-12-6-2)18(22)21-16-9-10-17(23-4)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22)
InChIKeyOBBJDHHKUUADPB-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.27
Rot. Bonds10

About N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide

N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide (PubChem CID 133205393) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
PubChem CID133205393
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-5-7-8-11-19(3,24-12-6-2)18(22)21-16-9-10-17(23-4)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22)
InChIKeyOBBJDHHKUUADPB-UHFFFAOYSA-N
XLogP4.27
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
[2-cyano-4-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]phenyl] acetate
CID 100766105
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
[2-cyano-4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenyl] acetate
CID 100764380
N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylheptanamide
CID 133229855
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide (CID 133205393) is N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is OBBJDHHKUUADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-7-8-11-19(3,24-12-6-2)18(22)21-16-9-10-17(23-4)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 332.44 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 133205393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).