N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide

C15H16N2O3 — CID 3102414

IUPACN-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O3/c18-10-4-9-16-14(19)15(20)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,18H,4,9-10H2,(H,16,19)(H,17,20)
InChIKeyQNDMLMJBSGFPPF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.28
Rot. Bonds4

About N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide

N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide (PubChem CID 3102414) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
PubChem CID3102414
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O3/c18-10-4-9-16-14(19)15(20)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,18H,4,9-10H2,(H,16,19)(H,17,20)
InChIKeyQNDMLMJBSGFPPF-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
CID 108524213
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide
CID 6611830
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
CID 111491083
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide (CID 3102414) is N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide is O=C(NCCCO)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide?
The InChIKey is QNDMLMJBSGFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-10-4-9-16-14(19)15(20)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,18H,4,9-10H2,(H,16,19)(H,17,20).
What are the key properties of N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide?
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide has a molecular weight of 272.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 3102414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).