1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine

C21H48N4O2 — CID 157246155

IUPAC1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CNC(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)NC(C)C
InChIInChI=1S/C7H16N2O.C7H15NO.C7H17N/c1-5(2)8-7(10)9-6(3)4;1-5(2)7(9)8-6(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3,(H2,8,9,10);5-6H,1-4H3,(H,8,9);6-8H,5H2,1-4H3
InChIKeyAVUGCUNZULWCRY-UHFFFAOYSA-N
MW388.64 g/mol
LogP3.91
Rot. Bonds7

About 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine

1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 157246155) has the molecular formula C21H48N4O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID157246155
Molecular FormulaC21H48N4O2
Molecular Weight388.64 g/mol
Exact Mass388.38
IUPAC Name1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CNC(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)NC(C)C
InChIInChI=1S/C7H16N2O.C7H15NO.C7H17N/c1-5(2)8-7(10)9-6(3)4;1-5(2)7(9)8-6(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3,(H2,8,9,10);5-6H,1-4H3,(H,8,9);6-8H,5H2,1-4H3
InChIKeyAVUGCUNZULWCRY-UHFFFAOYSA-N
XLogP3.91
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine 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

N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
2,5-dimethylhexan-3-one;bis((E)-2,5-dimethylhex-3-ene);2-methyl-N-propan-2-ylpropanamide
CID 159236036
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide
CID 160746287
2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
CID 169251481
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine (CID 157246155) is 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CNC(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)NC(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is AVUGCUNZULWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C7H15NO.C7H17N/c1-5(2)8-7(10)9-6(3)4;1-5(2)7(9)8-6(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3,(H2,8,9,10);5-6H,1-4H3,(H,8,9);6-8H,5H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine?
1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 388.64 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 157246155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).