1-amino-3-phenyl-1-propan-2-ylurea

C10H15N3O — CID 174763557

IUPAC1-amino-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-8(2)13(11)10(14)12-9-6-4-3-5-7-9/h3-8H,11H2,1-2H3,(H,12,14)
InChIKeyCMSXIQLQWAQVGM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.80
Rot. Bonds2

About 1-amino-3-phenyl-1-propan-2-ylurea

1-amino-3-phenyl-1-propan-2-ylurea (PubChem CID 174763557) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-amino-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-amino-3-phenyl-1-propan-2-ylurea
PubChem CID174763557
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-amino-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-8(2)13(11)10(14)12-9-6-4-3-5-7-9/h3-8H,11H2,1-2H3,(H,12,14)
InChIKeyCMSXIQLQWAQVGM-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1,1-bis(methylamino)-3-phenylurea
CID 54267679
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1-chloro-1-methyl-3-phenylurea
CID 173170547
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
CID 11176437
1-(N-carbamoylanilino)-1-methyl-3-phenylurea
CID 57010745
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
3-methylbutyl N-phenylcarbamate
CID 69480810
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-amino-3-phenyl-1-propan-2-ylurea (CID 174763557) is 1-amino-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-amino-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-amino-3-phenyl-1-propan-2-ylurea is CC(C)N(N)C(=O)Nc1ccccc1.
What is the InChIKey of 1-amino-3-phenyl-1-propan-2-ylurea?
The InChIKey is CMSXIQLQWAQVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(2)13(11)10(14)12-9-6-4-3-5-7-9/h3-8H,11H2,1-2H3,(H,12,14).
What are the key properties of 1-amino-3-phenyl-1-propan-2-ylurea?
1-amino-3-phenyl-1-propan-2-ylurea has a molecular weight of 193.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 174763557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).