1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

C20H30N2O3 — CID 111108863

IUPAC1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H30N2O3/c23-19(21-15-20(24)10-12-25-13-11-20)22-18(17-8-4-5-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18,24H,4-5,8-15H2,(H2,21,22,23)
InChIKeyDQWFUOZGCQMHFA-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.63
Rot. Bonds6

About 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 111108863) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID111108863
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H30N2O3/c23-19(21-15-20(24)10-12-25-13-11-20)22-18(17-8-4-5-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18,24H,4-5,8-15H2,(H2,21,22,23)
InChIKeyDQWFUOZGCQMHFA-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-[(4-hydroxyoxan-4-yl)methyl]-3-[1-(4-methylphenyl)butan-2-yl]urea
CID 111508813
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 111108863) is 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is O=C(NCC1(O)CCOCC1)NC(Cc1ccccc1)C1CCCC1.
What is the InChIKey of 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is DQWFUOZGCQMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19(21-15-20(24)10-12-25-13-11-20)22-18(17-8-4-5-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18,24H,4-5,8-15H2,(H2,21,22,23).
What are the key properties of 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 111108863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).