1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea

C16H24N2O2 — CID 107415055

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
SMILESCC1CCC(CNC(=O)Nc2cccc(C(C)O)c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-6-7-13(8-11)10-17-16(20)18-15-5-3-4-14(9-15)12(2)19/h3-5,9,11-13,19H,6-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyKYGCOZHSLGJFGQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.30
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea

1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea (PubChem CID 107415055) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
PubChem CID107415055
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
SMILESCC1CCC(CNC(=O)Nc2cccc(C(C)O)c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-6-7-13(8-11)10-17-16(20)18-15-5-3-4-14(9-15)12(2)19/h3-5,9,11-13,19H,6-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyKYGCOZHSLGJFGQ-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
CID 114539731
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea (CID 107415055) is 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea is CC1CCC(CNC(=O)Nc2cccc(C(C)O)c2)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea?
The InChIKey is KYGCOZHSLGJFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-7-13(8-11)10-17-16(20)18-15-5-3-4-14(9-15)12(2)19/h3-5,9,11-13,19H,6-8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea?
1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea is sourced from PubChem (CID 107415055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).