N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide

C14H20N2O3 — CID 115623569

IUPACN-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-12(17)9-15-13(18)14(19)16-11-7-5-10(2)6-8-11/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDQDKSLCAMUSACM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.21
Rot. Bonds5

About N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide

N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide (PubChem CID 115623569) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
PubChem CID115623569
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-12(17)9-15-13(18)14(19)16-11-7-5-10(2)6-8-11/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDQDKSLCAMUSACM-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.21
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

N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide
CID 111121391
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(2-hydroxypentyl)-3-pyridin-4-ylurea
CID 111119369
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 90496364
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
1-[4-(cyanomethyl)phenyl]-3-(2-hydroxypentyl)urea
CID 111431240
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
CID 111474234

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide (CID 115623569) is N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide is CCCC(O)CNC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is DQDKSLCAMUSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-12(17)9-15-13(18)14(19)16-11-7-5-10(2)6-8-11/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide?
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 115623569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).