2-acetamidoethyl N-(4-ethylphenyl)carbamate

C13H18N2O3 — CID 59778470

IUPAC2-acetamidoethyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCCNC(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-11-4-6-12(7-5-11)15-13(17)18-9-8-14-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAXMCZKSRNIRQIS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.93
Rot. Bonds5

About 2-acetamidoethyl N-(4-ethylphenyl)carbamate

2-acetamidoethyl N-(4-ethylphenyl)carbamate (PubChem CID 59778470) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-acetamidoethyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name2-acetamidoethyl N-(4-ethylphenyl)carbamate
PubChem CID59778470
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-acetamidoethyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCCNC(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-11-4-6-12(7-5-11)15-13(17)18-9-8-14-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAXMCZKSRNIRQIS-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 156746910
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
ethyl 4-[2-[(2-ethoxy-2-oxoacetyl)amino]ethoxycarbonylamino]benzoate
CID 5025785
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate
CID 130395420
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
3-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxy]propyl 3-methoxypropyl carbonate
CID 176863887
2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
CID 57248614

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl N-(4-ethylphenyl)carbamate?
The IUPAC name of 2-acetamidoethyl N-(4-ethylphenyl)carbamate (CID 59778470) is 2-acetamidoethyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for 2-acetamidoethyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for 2-acetamidoethyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCCNC(C)=O)cc1.
What is the InChIKey of 2-acetamidoethyl N-(4-ethylphenyl)carbamate?
The InChIKey is AXMCZKSRNIRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-11-4-6-12(7-5-11)15-13(17)18-9-8-14-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamidoethyl N-(4-ethylphenyl)carbamate?
2-acetamidoethyl N-(4-ethylphenyl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 59778470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).