2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate

C14H19NO3 — CID 142227662

IUPAC2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate
SMILESCOCCOC(=O)/N=C(\c1ccccc1)C(C)C
InChIInChI=1S/C14H19NO3/c1-11(2)13(12-7-5-4-6-8-12)15-14(16)18-10-9-17-3/h4-8,11H,9-10H2,1-3H3/b15-13-
InChIKeyPXEDHGRYVYSBIJ-SQFISAMPSA-N
MW249.31 g/mol
LogP2.91
Rot. Bonds5

About 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate

2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate (PubChem CID 142227662) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate.

Molecular Properties

Compound Name2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate
PubChem CID142227662
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate
SMILESCOCCOC(=O)/N=C(\c1ccccc1)C(C)C
InChIInChI=1S/C14H19NO3/c1-11(2)13(12-7-5-4-6-8-12)15-14(16)18-10-9-17-3/h4-8,11H,9-10H2,1-3H3/b15-13-
InChIKeyPXEDHGRYVYSBIJ-SQFISAMPSA-N
XLogP2.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate 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

azane;2-methoxyethyl benzoate
CID 174560204
2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide
CID 45140117
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
3-methoxy-1-phenylpropan-1-one
CID 10942788
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone
CID 160637935
2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid
CID 67569545
2-methoxyethyl N-(benzenecarboximidoyl)carbamate
CID 173285751
2,2-bis(2-methoxyethoxy)ethyl benzoate
CID 10236485
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
2-methoxyethoxymethyl benzoate
CID 11275823

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate?
The IUPAC name of 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate (CID 142227662) is 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate.
What is the SMILES notation for 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate?
The canonical SMILES for 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate is COCCOC(=O)/N=C(\c1ccccc1)C(C)C.
What is the InChIKey of 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate?
The InChIKey is PXEDHGRYVYSBIJ-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)13(12-7-5-4-6-8-12)15-14(16)18-10-9-17-3/h4-8,11H,9-10H2,1-3H3/b15-13-.
What are the key properties of 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate?
2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate is sourced from PubChem (CID 142227662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).