N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide

C14H22N2O4 — CID 79725938

IUPACN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O4/c1-19-9-8-16(7-3-6-15)14(18)11-4-5-13(20-2)12(17)10-11/h4-5,10,17H,3,6-9,15H2,1-2H3
InChIKeyJSVRDLZXHPNYMD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.84
Rot. Bonds8

About N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide

N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 79725938) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID79725938
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O4/c1-19-9-8-16(7-3-6-15)14(18)11-4-5-13(20-2)12(17)10-11/h4-5,10,17H,3,6-9,15H2,1-2H3
InChIKeyJSVRDLZXHPNYMD-UHFFFAOYSA-N
XLogP0.84
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63287503
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide (CID 79725938) is N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(CCCN)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is JSVRDLZXHPNYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-19-9-8-16(7-3-6-15)14(18)11-4-5-13(20-2)12(17)10-11/h4-5,10,17H,3,6-9,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide?
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 79725938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).