N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide

C15H22N2O3 — CID 624152

IUPACN-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(19)14(18)16-9-4-10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCUJSAXWIVDUMDZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.90
Rot. Bonds6

About N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide

N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 624152) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID624152
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(19)14(18)16-9-4-10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCUJSAXWIVDUMDZ-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.90
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-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 134161720
N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 126478016
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94268074

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 624152) is N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide is COCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is CUJSAXWIVDUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(19)14(18)16-9-4-10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 624152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).