1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea

C18H35N3O2 — CID 70023388

IUPAC1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
SMILESCN1CCC[C@H]1CCNC(=O)N(CCO)CCC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-20-12-5-8-17(20)9-11-19-18(23)21(14-15-22)13-10-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyGTKAGKYRUPYPLR-KRWDZBQOSA-N
MW325.50 g/mol
LogP2.44
Rot. Bonds8

About 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea (PubChem CID 70023388) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
PubChem CID70023388
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
SMILESCN1CCC[C@H]1CCNC(=O)N(CCO)CCC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-20-12-5-8-17(20)9-11-19-18(23)21(14-15-22)13-10-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyGTKAGKYRUPYPLR-KRWDZBQOSA-N
XLogP2.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 99919601
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]urea
CID 22723040
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
CID 119059632
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435372
1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
1-[(3-ethoxyphenyl)methyl]-1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 119061084
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea (CID 70023388) is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea is CN1CCC[C@H]1CCNC(=O)N(CCO)CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea?
The InChIKey is GTKAGKYRUPYPLR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-20-12-5-8-17(20)9-11-19-18(23)21(14-15-22)13-10-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea?
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea is sourced from PubChem (CID 70023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).