N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide

C19H30N2O4 — CID 126147164

IUPACN'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCCCCOc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C19H30N2O4/c1-4-5-6-13-25-17-10-8-16(9-11-17)21-19(23)18(22)20-12-7-14-24-15(2)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySZMLHSPVVUUGFO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.13
Rot. Bonds11

About N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide

N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 126147164) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID126147164
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCCCCOc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C19H30N2O4/c1-4-5-6-13-25-17-10-8-16(9-11-17)21-19(23)18(22)20-12-7-14-24-15(2)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySZMLHSPVVUUGFO-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
CID 5237210
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578

Frequently Asked Questions

What is the IUPAC name of N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide (CID 126147164) is N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide is CCCCCOc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1.
What is the InChIKey of N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is SZMLHSPVVUUGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-5-6-13-25-17-10-8-16(9-11-17)21-19(23)18(22)20-12-7-14-24-15(2)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 350.46 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 126147164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).