2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate

C17H21N3O2 — CID 154358903

IUPAC2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
SMILESCCN(CCOC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-20(16-9-4-3-5-10-16)11-12-22-17(21)19-15-8-6-7-14(18)13-15/h3-10,13H,2,11-12,18H2,1H3,(H,19,21)
InChIKeyRDRRPAXXSIDUBN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds6

About 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate

2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate (PubChem CID 154358903) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate.

Molecular Properties

Compound Name2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
PubChem CID154358903
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
SMILESCCN(CCOC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-20(16-9-4-3-5-10-16)11-12-22-17(21)19-15-8-6-7-14(18)13-15/h3-10,13H,2,11-12,18H2,1H3,(H,19,21)
InChIKeyRDRRPAXXSIDUBN-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
2-[ethyl(heptyl)amino]ethyl N-[3-[2-[ethyl(heptyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952832
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-ethoxyethyl N-phenylcarbamate
CID 4101389
N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
CID 71331392
N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide
CID 159801982

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate?
The IUPAC name of 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate (CID 154358903) is 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate.
What is the SMILES notation for 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate?
The canonical SMILES for 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate is CCN(CCOC(=O)Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate?
The InChIKey is RDRRPAXXSIDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20(16-9-4-3-5-10-16)11-12-22-17(21)19-15-8-6-7-14(18)13-15/h3-10,13H,2,11-12,18H2,1H3,(H,19,21).
What are the key properties of 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate?
2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate is sourced from PubChem (CID 154358903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).