N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide

C13H18N2O4 — CID 44999890

IUPACN-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCO
InChIInChI=1S/C13H18N2O4/c1-19-11-6-3-2-5-10(11)9-15-13(18)12(17)14-7-4-8-16/h2-3,5-6,16H,4,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyNHKMBIWMGWHENS-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.19
Rot. Bonds6

About N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide

N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 44999890) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
PubChem CID44999890
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCO
InChIInChI=1S/C13H18N2O4/c1-19-11-6-3-2-5-10(11)9-15-13(18)12(17)14-7-4-8-16/h2-3,5-6,16H,4,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyNHKMBIWMGWHENS-UHFFFAOYSA-N
XLogP-0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
methyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]butanoate
CID 9053736
(Z)-4-[(2-methoxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266732
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide (CID 44999890) is N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is NHKMBIWMGWHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-11-6-3-2-5-10(11)9-15-13(18)12(17)14-7-4-8-16/h2-3,5-6,16H,4,7-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 266.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 44999890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).