N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide

C16H24N2O3 — CID 44996012

IUPACN-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)8-10-17-15(19)16(20)18-11-9-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOHSPKUNICPUEAO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide

N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide (PubChem CID 44996012) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
PubChem CID44996012
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)8-10-17-15(19)16(20)18-11-9-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOHSPKUNICPUEAO-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978581
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide (CID 44996012) is N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide is COc1ccccc1CCNC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The InChIKey is OHSPKUNICPUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)8-10-17-15(19)16(20)18-11-9-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide?
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide is sourced from PubChem (CID 44996012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).