3-butan-2-yl-1,1-dipropylurea

C11H24N2O — CID 17217773

IUPAC3-butan-2-yl-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC(C)CC
InChIInChI=1S/C11H24N2O/c1-5-8-13(9-6-2)11(14)12-10(4)7-3/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyVYVSMUCIHZTSJP-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds6

About 3-butan-2-yl-1,1-dipropylurea

3-butan-2-yl-1,1-dipropylurea (PubChem CID 17217773) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-butan-2-yl-1,1-dipropylurea.

Molecular Properties

Compound Name3-butan-2-yl-1,1-dipropylurea
PubChem CID17217773
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-butan-2-yl-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC(C)CC
InChIInChI=1S/C11H24N2O/c1-5-8-13(9-6-2)11(14)12-10(4)7-3/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyVYVSMUCIHZTSJP-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-butan-2-yl-1,1-dipropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096
3-iodo-1,1-dipropylurea
CID 87969845
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
N-butan-2-yl-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691813
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,1-dipropylurea?
The IUPAC name of 3-butan-2-yl-1,1-dipropylurea (CID 17217773) is 3-butan-2-yl-1,1-dipropylurea.
What is the SMILES notation for 3-butan-2-yl-1,1-dipropylurea?
The canonical SMILES for 3-butan-2-yl-1,1-dipropylurea is CCCN(CCC)C(=O)NC(C)CC.
What is the InChIKey of 3-butan-2-yl-1,1-dipropylurea?
The InChIKey is VYVSMUCIHZTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-8-13(9-6-2)11(14)12-10(4)7-3/h10H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 3-butan-2-yl-1,1-dipropylurea?
3-butan-2-yl-1,1-dipropylurea has a molecular weight of 200.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,1-dipropylurea is sourced from PubChem (CID 17217773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).