N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide

C13H20N2O3 — CID 28707665

IUPACN-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(CCN)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-15(6-5-14)13(16)10-7-11(17-2)9-12(8-10)18-3/h7-9H,4-6,14H2,1-3H3
InChIKeyAJANWTBRRXTXKS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds6

About N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide

N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 28707665) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
PubChem CID28707665
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(CCN)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-15(6-5-14)13(16)10-7-11(17-2)9-12(8-10)18-3/h7-9H,4-6,14H2,1-3H3
InChIKeyAJANWTBRRXTXKS-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide (CID 28707665) is N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide is CCN(CCN)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide?
The InChIKey is AJANWTBRRXTXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(6-5-14)13(16)10-7-11(17-2)9-12(8-10)18-3/h7-9H,4-6,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide?
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 28707665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).