N-pentyl-N'-(4-propoxyphenyl)oxamide

C16H24N2O3 — CID 124624768

IUPACN-pentyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-11-17-15(19)16(20)18-13-7-9-14(10-8-13)21-12-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNOWIDFUMWPTCCH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds8

About N-pentyl-N'-(4-propoxyphenyl)oxamide

N-pentyl-N'-(4-propoxyphenyl)oxamide (PubChem CID 124624768) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-pentyl-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-pentyl-N'-(4-propoxyphenyl)oxamide
PubChem CID124624768
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-pentyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-11-17-15(19)16(20)18-13-7-9-14(10-8-13)21-12-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNOWIDFUMWPTCCH-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
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'}

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Related Compounds

N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-pentyl-N'-(4-propoxyphenyl)oxamide (CID 124624768) is N-pentyl-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-pentyl-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-pentyl-N'-(4-propoxyphenyl)oxamide is CCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of N-pentyl-N'-(4-propoxyphenyl)oxamide?
The InChIKey is NOWIDFUMWPTCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-6-11-17-15(19)16(20)18-13-7-9-14(10-8-13)21-12-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-pentyl-N'-(4-propoxyphenyl)oxamide?
N-pentyl-N'-(4-propoxyphenyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 124624768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).