1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea

C14H26N2O2 — CID 111438461

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
SMILESCC1CCCCC1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C14H26N2O2/c1-11-5-2-3-6-12(11)9-15-13(17)16-10-14(18)7-4-8-14/h11-12,18H,2-10H2,1H3,(H2,15,16,17)
InChIKeyGXQAGOABVPARIE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds4

About 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea (PubChem CID 111438461) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
PubChem CID111438461
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
SMILESCC1CCCCC1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C14H26N2O2/c1-11-5-2-3-6-12(11)9-15-13(17)16-10-14(18)7-4-8-14/h11-12,18H,2-10H2,1H3,(H2,15,16,17)
InChIKeyGXQAGOABVPARIE-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384
4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 107420020
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(2-methylcyclopentyl)methylurea
CID 107417745
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
(E)-4-[(2-methylcyclohexyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 55011790
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea (CID 111438461) is 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea is CC1CCCCC1CNC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The InChIKey is GXQAGOABVPARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-5-2-3-6-12(11)9-15-13(17)16-10-14(18)7-4-8-14/h11-12,18H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 111438461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).