2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide

C19H24N2O3 — CID 119943708

IUPAC2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccccc2N)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-10-9-14(13-18(17)24-4-2)11-12-21-19(22)15-7-5-6-8-16(15)20/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22)
InChIKeyITRIYMNRVBTXPQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.04
Rot. Bonds8

About 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide

2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide (PubChem CID 119943708) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
PubChem CID119943708
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccccc2N)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-10-9-14(13-18(17)24-4-2)11-12-21-19(22)15-7-5-6-8-16(15)20/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22)
InChIKeyITRIYMNRVBTXPQ-UHFFFAOYSA-N
XLogP3.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.04
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-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346
2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 23632472
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide (CID 119943708) is 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide is CCOc1ccc(CCNC(=O)c2ccccc2N)cc1OCC.
What is the InChIKey of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide?
The InChIKey is ITRIYMNRVBTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-10-9-14(13-18(17)24-4-2)11-12-21-19(22)15-7-5-6-8-16(15)20/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide?
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 119943708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).