1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea

C23H25N3O2 — CID 167748989

IUPAC1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea
SMILESCC(NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)25-23(27)26-19-11-14-28-22(15-19)18-9-12-24-13-10-18/h2-10,12-13,16,19,22H,11,14-15H2,1H3,(H2,25,26,27)/t16?,19-,22+/m1/s1
InChIKeyHCHIYERPSADBNC-PKAPETAZSA-N
MW375.47 g/mol
LogP4.52
Rot. Bonds4

About 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea

1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea (PubChem CID 167748989) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea
PubChem CID167748989
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea
SMILESCC(NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)25-23(27)26-19-11-14-28-22(15-19)18-9-12-24-13-10-18/h2-10,12-13,16,19,22H,11,14-15H2,1H3,(H2,25,26,27)/t16?,19-,22+/m1/s1
InChIKeyHCHIYERPSADBNC-PKAPETAZSA-N
XLogP4.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea with MolForge

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Related Compounds

1-[2-(4-methylphenyl)propyl]-3-(2-pyridin-4-yloxan-4-yl)urea
CID 166236161
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
CID 136515157
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 75523195
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea?
The IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea (CID 167748989) is 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea.
What is the SMILES notation for 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea?
The canonical SMILES for 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea is CC(NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea?
The InChIKey is HCHIYERPSADBNC-PKAPETAZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)25-23(27)26-19-11-14-28-22(15-19)18-9-12-24-13-10-18/h2-10,12-13,16,19,22H,11,14-15H2,1H3,(H2,25,26,27)/t16?,19-,22+/m1/s1.
What are the key properties of 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea?
1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea has a molecular weight of 375.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethyl)-3-[(2S,4R)-2-pyridin-4-yloxan-4-yl]urea is sourced from PubChem (CID 167748989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).