N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide

C17H26N2O3 — CID 111521522

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(CCO)CC(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-14(7-8-20)11-18-16(21)17(22)19-15-6-4-5-13(3)10-15/h4-6,10,12,14,20H,7-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBZFDSMYXJBHSHQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide (PubChem CID 111521522) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
PubChem CID111521522
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(CCO)CC(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-14(7-8-20)11-18-16(21)17(22)19-15-6-4-5-13(3)10-15/h4-6,10,12,14,20H,7-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBZFDSMYXJBHSHQ-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.09
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'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521505
N'-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521482
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
N-[3-[[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]methyl]phenyl]acetamide
CID 111714652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide (CID 111521522) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(CCO)CC(C)C)c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is BZFDSMYXJBHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-14(7-8-20)11-18-16(21)17(22)19-15-6-4-5-13(3)10-15/h4-6,10,12,14,20H,7-9,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 111521522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).