N'-(4-butoxyphenyl)-N-heptyloxamide

C19H30N2O3 — CID 17201915

IUPACN'-(4-butoxyphenyl)-N-heptyloxamide
SMILESCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1
InChIInChI=1S/C19H30N2O3/c1-3-5-7-8-9-14-20-18(22)19(23)21-16-10-12-17(13-11-16)24-15-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMKRAZAHGESFBDR-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.89
Rot. Bonds11

About N'-(4-butoxyphenyl)-N-heptyloxamide

N'-(4-butoxyphenyl)-N-heptyloxamide (PubChem CID 17201915) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-(4-butoxyphenyl)-N-heptyloxamide.

Molecular Properties

Compound NameN'-(4-butoxyphenyl)-N-heptyloxamide
PubChem CID17201915
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-(4-butoxyphenyl)-N-heptyloxamide
SMILESCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1
InChIInChI=1S/C19H30N2O3/c1-3-5-7-8-9-14-20-18(22)19(23)21-16-10-12-17(13-11-16)24-15-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMKRAZAHGESFBDR-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-butoxyphenyl)-N-heptyloxamide 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-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
CID 5237210

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxyphenyl)-N-heptyloxamide?
The IUPAC name of N'-(4-butoxyphenyl)-N-heptyloxamide (CID 17201915) is N'-(4-butoxyphenyl)-N-heptyloxamide.
What is the SMILES notation for N'-(4-butoxyphenyl)-N-heptyloxamide?
The canonical SMILES for N'-(4-butoxyphenyl)-N-heptyloxamide is CCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1.
What is the InChIKey of N'-(4-butoxyphenyl)-N-heptyloxamide?
The InChIKey is MKRAZAHGESFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-5-7-8-9-14-20-18(22)19(23)21-16-10-12-17(13-11-16)24-15-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-butoxyphenyl)-N-heptyloxamide?
N'-(4-butoxyphenyl)-N-heptyloxamide has a molecular weight of 334.46 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxyphenyl)-N-heptyloxamide is sourced from PubChem (CID 17201915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).