1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea

C10H22N2O2 — CID 60781183

IUPAC1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
SMILESCCCCN(CCO)C(=O)NC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12(7-8-13)10(14)11-9(2)3/h9,13H,4-8H2,1-3H3,(H,11,14)
InChIKeyQRJQHGLWKONXAR-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.20
Rot. Bonds6

About 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea

1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea (PubChem CID 60781183) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
PubChem CID60781183
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
SMILESCCCCN(CCO)C(=O)NC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12(7-8-13)10(14)11-9(2)3/h9,13H,4-8H2,1-3H3,(H,11,14)
InChIKeyQRJQHGLWKONXAR-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
1-butyl-3-[1-(4-cyanophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 110896568
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 110930009
(2S)-2-(dibutylcarbamoylamino)-3-methylpentanoic acid
CID 61185893
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylpentanoic acid
CID 61234317

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea (CID 60781183) is 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea is CCCCN(CCO)C(=O)NC(C)C.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea?
The InChIKey is QRJQHGLWKONXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-6-12(7-8-13)10(14)11-9(2)3/h9,13H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea?
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea has a molecular weight of 202.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea is sourced from PubChem (CID 60781183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).