1-methyl-3-(2-phenylmethoxypropanoylamino)urea

C12H17N3O3 — CID 47383903

IUPAC1-methyl-3-(2-phenylmethoxypropanoylamino)urea
SMILESCNC(=O)NNC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C12H17N3O3/c1-9(11(16)14-15-12(17)13-2)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyYEZWVNPGQULKJB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.55
Rot. Bonds4

About 1-methyl-3-(2-phenylmethoxypropanoylamino)urea

1-methyl-3-(2-phenylmethoxypropanoylamino)urea (PubChem CID 47383903) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylmethoxypropanoylamino)urea.

Molecular Properties

Compound Name1-methyl-3-(2-phenylmethoxypropanoylamino)urea
PubChem CID47383903
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-methyl-3-(2-phenylmethoxypropanoylamino)urea
SMILESCNC(=O)NNC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C12H17N3O3/c1-9(11(16)14-15-12(17)13-2)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyYEZWVNPGQULKJB-UHFFFAOYSA-N
XLogP0.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
CID 86983287
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
CID 170755656
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
CID 55647951
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylmethoxypropanoylamino)urea?
The IUPAC name of 1-methyl-3-(2-phenylmethoxypropanoylamino)urea (CID 47383903) is 1-methyl-3-(2-phenylmethoxypropanoylamino)urea.
What is the SMILES notation for 1-methyl-3-(2-phenylmethoxypropanoylamino)urea?
The canonical SMILES for 1-methyl-3-(2-phenylmethoxypropanoylamino)urea is CNC(=O)NNC(=O)C(C)OCc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-phenylmethoxypropanoylamino)urea?
The InChIKey is YEZWVNPGQULKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(11(16)14-15-12(17)13-2)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-methyl-3-(2-phenylmethoxypropanoylamino)urea?
1-methyl-3-(2-phenylmethoxypropanoylamino)urea has a molecular weight of 251.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylmethoxypropanoylamino)urea is sourced from PubChem (CID 47383903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).