1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea

C17H20N2O2 — CID 6469433

IUPAC1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc2ccccc12)C1CCCO1
InChIInChI=1S/C17H20N2O2/c1-12(16-10-5-11-21-16)18-17(20)19-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12,16H,5,10-11H2,1H3,(H2,18,19,20)
InChIKeyAECSJCCSYOZRGK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.53
Rot. Bonds3

About 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea

1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 6469433) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID6469433
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc2ccccc12)C1CCCO1
InChIInChI=1S/C17H20N2O2/c1-12(16-10-5-11-21-16)18-17(20)19-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12,16H,5,10-11H2,1H3,(H2,18,19,20)
InChIKeyAECSJCCSYOZRGK-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, 1-(2-methoxyethyl)-3-(1-naphthyl)-
CID 282484
1-(2-Hydroxycyclohexyl)-3-(naphthalen-1-yl)urea
CID 3700152
{[3-(methylethoxy)propyl]amino}-N-naphthylcarboxamide
CID 3110730
N-(naphthalen-1-yl)morpholine-4-carboxamide
CID 575109
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
CID 293444
Urea, N,N''-1,5-naphthalenediylbis[N'-[3-[(2-ethylhexyl)oxy]propyl]-
CID 116757
Urea, 1-(2-hydroxyethyl)-3-(1-naphthyl)-
CID 267545
N-(3,5-dimethylphenyl)-N'-[1-(tetrahydro-2-furanyl)ethyl]urea
CID 6465713
1-Naphthalen-1-yl-3-(tetrahydrofuran-2-ylmethyl)thiourea
CID 2909739
Urea, 3-((ethoxycarbonyl)methyl)-1-(1-naphthyl)-
CID 202191
N-(2,2-Diethoxyethyl)-N-methyl-N'-naphthalen-1-ylcarbamimidic acid
CID 377624
Urea, 1-(3-methoxypropyl)-3-(1-naphthyl)-
CID 282483

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea (CID 6469433) is 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)Nc1cccc2ccccc12)C1CCCO1.
What is the InChIKey of 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is AECSJCCSYOZRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(16-10-5-11-21-16)18-17(20)19-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12,16H,5,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea?
1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 6469433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).