1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea

C16H30N2O2 — CID 167834563

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
SMILESCC1CCC(CCNC(=O)NC2CCC(CO)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12-2-3-13(10-12)8-9-17-16(20)18-15-6-4-14(11-19)5-7-15/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyFILUXFZRTYQZAV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.66
Rot. Bonds5

About 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea

1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea (PubChem CID 167834563) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
PubChem CID167834563
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
SMILESCC1CCC(CCNC(=O)NC2CCC(CO)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12-2-3-13(10-12)8-9-17-16(20)18-15-6-4-14(11-19)5-7-15/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyFILUXFZRTYQZAV-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
CID 130626358
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 75425944
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
1-(2-cyclopropylethyl)-3-[(1R,2R)-2-methylcyclopropyl]urea
CID 166248887
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea (CID 167834563) is 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea is CC1CCC(CCNC(=O)NC2CCC(CO)CC2)C1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea?
The InChIKey is FILUXFZRTYQZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-2-3-13(10-12)8-9-17-16(20)18-15-6-4-14(11-19)5-7-15/h12-15,19H,2-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea?
1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea has a molecular weight of 282.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea is sourced from PubChem (CID 167834563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).