1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

C18H28N2O3 — CID 97058604

IUPAC1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESCCOc1ccccc1CCNC(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-3-23-17-7-5-4-6-16(17)8-11-19-18(21)20-14(2)15-9-12-22-13-10-15/h4-7,14-15H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyCWUWRSCZTNLHRE-AWEZNQCLSA-N
MW320.43 g/mol
LogP2.74
Rot. Bonds7

About 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (PubChem CID 97058604) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
PubChem CID97058604
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESCCOc1ccccc1CCNC(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-3-23-17-7-5-4-6-16(17)8-11-19-18(21)20-14(2)15-9-12-22-13-10-15/h4-7,14-15H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyCWUWRSCZTNLHRE-AWEZNQCLSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120930913
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 124575953
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
(3aR,4R,7R,7aR)-N-[2-(2-ethoxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 98775483
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (CID 97058604) is 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is CCOc1ccccc1CCNC(=O)N[C@@H](C)C1CCOCC1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is CWUWRSCZTNLHRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-23-17-7-5-4-6-16(17)8-11-19-18(21)20-14(2)15-9-12-22-13-10-15/h4-7,14-15H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 97058604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).