1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea

C16H24N2O3 — CID 111103515

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C16H24N2O3/c1-2-11-21-14-8-4-3-7-13(14)18-15(19)17-12-16(20)9-5-6-10-16/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyBUTUWKKCGCGPAC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.90
Rot. Bonds6

About 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea

1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea (PubChem CID 111103515) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
PubChem CID111103515
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C16H24N2O3/c1-2-11-21-14-8-4-3-7-13(14)18-15(19)17-12-16(20)9-5-6-10-16/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyBUTUWKKCGCGPAC-UHFFFAOYSA-N
XLogP2.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
CID 47032719
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea (CID 111103515) is 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea?
The InChIKey is BUTUWKKCGCGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-11-21-14-8-4-3-7-13(14)18-15(19)17-12-16(20)9-5-6-10-16/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea?
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 111103515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).