N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide

C16H24N2O3 — CID 110910480

IUPACN'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-4-12-6-5-7-13(9-12)18-16(21)15(20)17-10-14(19)8-11(2)3/h5-7,9,11,14,19H,4,8,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLTRGGCXIVMXGHO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds6

About N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide

N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide (PubChem CID 110910480) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
PubChem CID110910480
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-4-12-6-5-7-13(9-12)18-16(21)15(20)17-10-14(19)8-11(2)3/h5-7,9,11,14,19H,4,8,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLTRGGCXIVMXGHO-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
1-(2-hydroxy-4-methylpentyl)-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475762
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N-(2-hydroxy-3-methylpentyl)-N'-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490500
N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490471
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224753
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide?
The IUPAC name of N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide (CID 110910480) is N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide.
What is the SMILES notation for N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide?
The canonical SMILES for N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide is CCc1cccc(NC(=O)C(=O)NCC(O)CC(C)C)c1.
What is the InChIKey of N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide?
The InChIKey is LTRGGCXIVMXGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-12-6-5-7-13(9-12)18-16(21)15(20)17-10-14(19)8-11(2)3/h5-7,9,11,14,19H,4,8,10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide?
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide is sourced from PubChem (CID 110910480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).