1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea

C12H22N2O2 — CID 111337114

IUPAC1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(15)6-7-13-12(16)14-11(9-2-3-9)10-4-5-10/h8-11,15H,2-7H2,1H3,(H2,13,14,16)
InChIKeyFIHMIUDWIMWZPM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.25
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea

1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea (PubChem CID 111337114) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
PubChem CID111337114
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(15)6-7-13-12(16)14-11(9-2-3-9)10-4-5-10/h8-11,15H,2-7H2,1H3,(H2,13,14,16)
InChIKeyFIHMIUDWIMWZPM-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
CID 55597562
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
2-(dicyclopropylmethylcarbamoylamino)propanoic acid
CID 61480782
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
CID 86969950
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea (CID 111337114) is 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea?
The InChIKey is FIHMIUDWIMWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(15)6-7-13-12(16)14-11(9-2-3-9)10-4-5-10/h8-11,15H,2-7H2,1H3,(H2,13,14,16).
What are the key properties of 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea?
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).