N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide

C19H28N2O3 — CID 133229739

IUPACN-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CC(C)C)OC)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-7-10-24-17-9-8-16(11-15(17)13-20)21-18(22)19(4,23-5)12-14(2)3/h8-9,11,14H,6-7,10,12H2,1-5H3,(H,21,22)
InChIKeyFLFWXRSIXXLWDU-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.13
Rot. Bonds9

About N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide

N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide (PubChem CID 133229739) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
PubChem CID133229739
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CC(C)C)OC)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-7-10-24-17-9-8-16(11-15(17)13-20)21-18(22)19(4,23-5)12-14(2)3/h8-9,11,14H,6-7,10,12H2,1-5H3,(H,21,22)
InChIKeyFLFWXRSIXXLWDU-UHFFFAOYSA-N
XLogP4.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759542
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133229857
N-(4-butoxy-3-cyanophenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765606
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylheptanamide
CID 133229855
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide (CID 133229739) is N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide is CCCCOc1ccc(NC(=O)C(C)(CC(C)C)OC)cc1C#N.
What is the InChIKey of N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is FLFWXRSIXXLWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-7-10-24-17-9-8-16(11-15(17)13-20)21-18(22)19(4,23-5)12-14(2)3/h8-9,11,14H,6-7,10,12H2,1-5H3,(H,21,22).
What are the key properties of N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide?
N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 332.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).