1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea

C13H26N2O3 — CID 111439142

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-3-11(9-18-2)15-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeySWHDDEPOWQOVFB-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.41
Rot. Bonds6

About 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea

1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea (PubChem CID 111439142) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
PubChem CID111439142
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-3-11(9-18-2)15-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeySWHDDEPOWQOVFB-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439144
1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 106190470
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
2-(1-aminocyclopentyl)-N-(1-methoxybutan-2-yl)acetamide
CID 64677485
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea (CID 111439142) is 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea is CCC(COC)NC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The InChIKey is SWHDDEPOWQOVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-11(9-18-2)15-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea?
1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea has a molecular weight of 258.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea is sourced from PubChem (CID 111439142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).