2-anilinoethyl N-ethyl-N-propylcarbamate

C14H22N2O2 — CID 70360533

IUPAC2-anilinoethyl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OCCNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-11-16(4-2)14(17)18-12-10-15-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyJSAUAYRVTFKYGT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.97
Rot. Bonds7

About 2-anilinoethyl N-ethyl-N-propylcarbamate

2-anilinoethyl N-ethyl-N-propylcarbamate (PubChem CID 70360533) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-anilinoethyl N-ethyl-N-propylcarbamate.

Molecular Properties

Compound Name2-anilinoethyl N-ethyl-N-propylcarbamate
PubChem CID70360533
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-anilinoethyl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OCCNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-11-16(4-2)14(17)18-12-10-15-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyJSAUAYRVTFKYGT-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
2-anilinoethyl 2-methylpropanoate
CID 20975992
bis(2-anilinoethyl) (E)-but-2-enedioate;hydrochloride
CID 90411271
2-anilinoethyl 2-methylsulfanylacetate
CID 70658906
2-anilinoethyl 2-[acetyl(methyl)amino]acetate
CID 70658920
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
N-(4-anilino-2-methylbutyl)-N-ethylacetamide
CID 10824472
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
N-propylaniline
CID 12153
ethyl 3-anilinopropanoate
CID 10910393

Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl N-ethyl-N-propylcarbamate?
The IUPAC name of 2-anilinoethyl N-ethyl-N-propylcarbamate (CID 70360533) is 2-anilinoethyl N-ethyl-N-propylcarbamate.
What is the SMILES notation for 2-anilinoethyl N-ethyl-N-propylcarbamate?
The canonical SMILES for 2-anilinoethyl N-ethyl-N-propylcarbamate is CCCN(CC)C(=O)OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethyl N-ethyl-N-propylcarbamate?
The InChIKey is JSAUAYRVTFKYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-16(4-2)14(17)18-12-10-15-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of 2-anilinoethyl N-ethyl-N-propylcarbamate?
2-anilinoethyl N-ethyl-N-propylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethyl N-ethyl-N-propylcarbamate is sourced from PubChem (CID 70360533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).