4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide

C14H22N2O2 — CID 113477422

IUPAC4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
SMILESCCOC(C)CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-11(2)10-16-14(17)13-6-4-12(5-7-13)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyKVWNHAJTCCLDQH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide

4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide (PubChem CID 113477422) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
PubChem CID113477422
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
SMILESCCOC(C)CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-11(2)10-16-14(17)13-6-4-12(5-7-13)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyKVWNHAJTCCLDQH-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-hydroperoxypropyl)benzamide
CID 163559021
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250291
4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
CID 114417205
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
2-(2-aminoethoxy)-N-(2-ethoxypropyl)acetamide
CID 115739454

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide (CID 113477422) is 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide is CCOC(C)CNC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide?
The InChIKey is KVWNHAJTCCLDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-11(2)10-16-14(17)13-6-4-12(5-7-13)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide?
4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide is sourced from PubChem (CID 113477422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).