1-phenylmethoxy-1-propan-2-ylurea

C11H16N2O2 — CID 134896768

IUPAC1-phenylmethoxy-1-propan-2-ylurea
SMILESCC(C)N(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-9(2)13(11(12)14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14)
InChIKeyRVKXEUXYKUPRLM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.91
Rot. Bonds4

About 1-phenylmethoxy-1-propan-2-ylurea

1-phenylmethoxy-1-propan-2-ylurea (PubChem CID 134896768) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-phenylmethoxy-1-propan-2-ylurea.

Molecular Properties

Compound Name1-phenylmethoxy-1-propan-2-ylurea
PubChem CID134896768
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-phenylmethoxy-1-propan-2-ylurea
SMILESCC(C)N(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-9(2)13(11(12)14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14)
InChIKeyRVKXEUXYKUPRLM-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxy-1-propan-2-ylurea 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

O-Benzyl-N-isopropylhydroxylamine
CID 10558981
N-benzyloxy-N'-methylurea
CID 14227198
N-benzyloxy-N-(1-ethylpropyl)amine
CID 15366668
1-Benzyl-1-phenylmethoxyurea
CID 22444379
N-methyl-N-phenylmethoxyacetamide
CID 23400397
3-Phenyloxaziridine-2-carboxamide
CID 129932914
1-Methyl-1-phenylmethoxyurea
CID 130689491
N,N-dimethyl-3-(phenylmethoxycarbamoylamino)propanamide
CID 53587277
1-(2-Methoxyethyl)-1-methyl-3-phenylmethoxyurea
CID 56801236
1-Cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
CID 99821870
1-Methyl-1-(3-phenylmethoxypropyl)urea
CID 121525100
1-Phenylmethoxy-2,3-di(propan-2-yl)guanidine
CID 13292

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-1-propan-2-ylurea?
The IUPAC name of 1-phenylmethoxy-1-propan-2-ylurea (CID 134896768) is 1-phenylmethoxy-1-propan-2-ylurea.
What is the SMILES notation for 1-phenylmethoxy-1-propan-2-ylurea?
The canonical SMILES for 1-phenylmethoxy-1-propan-2-ylurea is CC(C)N(OCc1ccccc1)C(N)=O.
What is the InChIKey of 1-phenylmethoxy-1-propan-2-ylurea?
The InChIKey is RVKXEUXYKUPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(2)13(11(12)14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14).
What are the key properties of 1-phenylmethoxy-1-propan-2-ylurea?
1-phenylmethoxy-1-propan-2-ylurea has a molecular weight of 208.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1-propan-2-ylurea is sourced from PubChem (CID 134896768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).