N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide

C14H22N2O3 — CID 43319202

IUPACN-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(CCCN)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(9-5-8-15)14(17)11-6-7-12(18-2)13(10-11)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyXROWQWGYSBJNIF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds7

About N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide

N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide (PubChem CID 43319202) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
PubChem CID43319202
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(CCCN)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(9-5-8-15)14(17)11-6-7-12(18-2)13(10-11)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyXROWQWGYSBJNIF-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-fluoro-4-methoxybenzamide
CID 55131775
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide (CID 43319202) is N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide is CCN(CCCN)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide?
The InChIKey is XROWQWGYSBJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16(9-5-8-15)14(17)11-6-7-12(18-2)13(10-11)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide?
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 43319202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).