1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea

C18H28N2O3 — CID 111104008

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(CCNC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)9-12-19-17(21)20-13-18(22)10-3-4-11-18/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,19,20,21)
InChIKeyRKCBLFJFKIFYPP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.62
Rot. Bonds7

About 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 111104008) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
PubChem CID111104008
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(CCNC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)9-12-19-17(21)20-13-18(22)10-3-4-11-18/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,19,20,21)
InChIKeyRKCBLFJFKIFYPP-UHFFFAOYSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
1-(2-methoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 51130985
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea (CID 111104008) is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea is CC(C)Oc1ccc(CCNC(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is RKCBLFJFKIFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)9-12-19-17(21)20-13-18(22)10-3-4-11-18/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.62, 7 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-(4-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 111104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).