1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea

C19H24N2O2 — CID 74234927

IUPAC1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
SMILESCCN(CC1CCOCC1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O2/c1-2-21(14-15-9-11-23-12-10-15)19(22)20-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22)
InChIKeyPIOAWJMUVOKSNP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.12
Rot. Bonds4

About 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea

1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea (PubChem CID 74234927) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
PubChem CID74234927
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
SMILESCCN(CC1CCOCC1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O2/c1-2-21(14-15-9-11-23-12-10-15)19(22)20-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22)
InChIKeyPIOAWJMUVOKSNP-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 94176691
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
1-ethyl-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1-(oxan-4-ylmethyl)urea
CID 118766629
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea (CID 74234927) is 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea is CCN(CC1CCOCC1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea?
The InChIKey is PIOAWJMUVOKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-21(14-15-9-11-23-12-10-15)19(22)20-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea?
1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 74234927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).