3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea

C11H17N3O — CID 82507336

IUPAC3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
SMILESCC(CN)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(8-12)13-11(15)14(2)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3,(H,13,15)
InChIKeyXCJMIOJMFQGKOE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.18
Rot. Bonds3

About 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea

3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea (PubChem CID 82507336) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
PubChem CID82507336
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
SMILESCC(CN)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(8-12)13-11(15)14(2)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3,(H,13,15)
InChIKeyXCJMIOJMFQGKOE-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea 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

5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
CID 170187253
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
CID 82849236
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea (CID 82507336) is 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea is CC(CN)NC(=O)N(C)c1ccccc1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea?
The InChIKey is XCJMIOJMFQGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(8-12)13-11(15)14(2)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea?
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea has a molecular weight of 207.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea is sourced from PubChem (CID 82507336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).