2-(4-butoxyphenyl)pentanediamide

C15H22N2O3 — CID 20546483

IUPAC2-(4-butoxyphenyl)pentanediamide
SMILESCCCCOc1ccc(C(CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-10-20-12-6-4-11(5-7-12)13(15(17)19)8-9-14(16)18/h4-7,13H,2-3,8-10H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyVTZIJQXGJHIKDP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds9

About 2-(4-butoxyphenyl)pentanediamide

2-(4-butoxyphenyl)pentanediamide (PubChem CID 20546483) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)pentanediamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)pentanediamide
PubChem CID20546483
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-butoxyphenyl)pentanediamide
SMILESCCCCOc1ccc(C(CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-10-20-12-6-4-11(5-7-12)13(15(17)19)8-9-14(16)18/h4-7,13H,2-3,8-10H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyVTZIJQXGJHIKDP-UHFFFAOYSA-N
XLogP1.70
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)pentanediamide 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

2-(4-phenylmethoxyphenyl)pentanediamide
CID 20546418
2-(4-methoxyphenyl)octanediamide
CID 170724360
(2S)-4-amino-2-(4-hexoxyphenyl)-4-oxobutanoic acid
CID 7037672
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(4-ethylsulfanylphenyl)pentanediamide
CID 54414238
(2S)-3-amino-2-(4-butoxyphenyl)propanoic acid
CID 125032808
1,5-dibromo-2,4-bis(4-octoxyphenyl)pentan-3-one
CID 150375508
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-(4-methylphenyl)hexanediamide
CID 174359492
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)pentanediamide?
The IUPAC name of 2-(4-butoxyphenyl)pentanediamide (CID 20546483) is 2-(4-butoxyphenyl)pentanediamide.
What is the SMILES notation for 2-(4-butoxyphenyl)pentanediamide?
The canonical SMILES for 2-(4-butoxyphenyl)pentanediamide is CCCCOc1ccc(C(CCC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)pentanediamide?
The InChIKey is VTZIJQXGJHIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-10-20-12-6-4-11(5-7-12)13(15(17)19)8-9-14(16)18/h4-7,13H,2-3,8-10H2,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 2-(4-butoxyphenyl)pentanediamide?
2-(4-butoxyphenyl)pentanediamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)pentanediamide is sourced from PubChem (CID 20546483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).