methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate

C14H19NO3 — CID 154113841

IUPACmethyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
SMILESC=COCCN(C(=O)OC)C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-18-11-10-15(14(16)17-3)12(2)13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3
InChIKeySXXLOZNXYNHFJA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.98
Rot. Bonds6

About methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate

methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate (PubChem CID 154113841) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
PubChem CID154113841
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
SMILESC=COCCN(C(=O)OC)C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-18-11-10-15(14(16)17-3)12(2)13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3
InChIKeySXXLOZNXYNHFJA-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
N-(2-ethenoxyethyl)-N-methylbenzamide
CID 154204168
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
1-phenylethyl(propyl)carbamic acid
CID 57360234
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate?
The IUPAC name of methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate (CID 154113841) is methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate.
What is the SMILES notation for methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate?
The canonical SMILES for methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate is C=COCCN(C(=O)OC)C(C)c1ccccc1.
What is the InChIKey of methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate?
The InChIKey is SXXLOZNXYNHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-18-11-10-15(14(16)17-3)12(2)13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3.
What are the key properties of methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate?
methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate is sourced from PubChem (CID 154113841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).