1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea

C19H28N2O3 — CID 84597592

IUPAC1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C19H28N2O3/c22-17(21-14-19(23)10-11-24-15-19)20-13-18(8-4-5-9-18)12-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2,(H2,20,21,22)
InChIKeyKFDADMWFYPBSQB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.24
Rot. Bonds6

About 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea

1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea (PubChem CID 84597592) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
PubChem CID84597592
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C19H28N2O3/c22-17(21-14-19(23)10-11-24-15-19)20-13-18(8-4-5-9-18)12-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2,(H2,20,21,22)
InChIKeyKFDADMWFYPBSQB-UHFFFAOYSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
3-benzyloxolan-3-ol
CID 63332039
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
2-benzyl-1-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 130164267
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The IUPAC name of 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea (CID 84597592) is 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea is O=C(NCC1(O)CCOC1)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The InChIKey is KFDADMWFYPBSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-17(21-14-19(23)10-11-24-15-19)20-13-18(8-4-5-9-18)12-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2,(H2,20,21,22).
What are the key properties of 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea has a molecular weight of 332.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea is sourced from PubChem (CID 84597592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).