3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

C15H31N3O2 — CID 110011987

IUPAC3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCC(CCN(C)C)NC(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C15H31N3O2/c1-12(9-10-17(2)3)16-15(20)18(4)11-13-7-5-6-8-14(13)19/h12-14,19H,5-11H2,1-4H3,(H,16,20)
InChIKeyBQVFRPKZVODUAP-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.52
Rot. Bonds6

About 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (PubChem CID 110011987) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
PubChem CID110011987
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCC(CCN(C)C)NC(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C15H31N3O2/c1-12(9-10-17(2)3)16-15(20)18(4)11-13-7-5-6-8-14(13)19/h12-14,19H,5-11H2,1-4H3,(H,16,20)
InChIKeyBQVFRPKZVODUAP-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
CID 110012762
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
2-(cyclopentylamino)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 54968434
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110003474
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110012374
3-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 129445929
3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398738

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (CID 110011987) is 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is CC(CCN(C)C)NC(=O)N(C)CC1CCCCC1O.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The InChIKey is BQVFRPKZVODUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(9-10-17(2)3)16-15(20)18(4)11-13-7-5-6-8-14(13)19/h12-14,19H,5-11H2,1-4H3,(H,16,20).
What are the key properties of 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea has a molecular weight of 285.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is sourced from PubChem (CID 110011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).