N-(2-aminoethyl)-3-methoxy-4-methylbenzamide

C11H16N2O2 — CID 18071038

IUPACN-(2-aminoethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCN)ccc1C
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-10(8)15-2)11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyAZNWRKATGHYVBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds4

About N-(2-aminoethyl)-3-methoxy-4-methylbenzamide

N-(2-aminoethyl)-3-methoxy-4-methylbenzamide (PubChem CID 18071038) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methoxy-4-methylbenzamide
PubChem CID18071038
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-aminoethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCN)ccc1C
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-10(8)15-2)11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyAZNWRKATGHYVBD-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-methoxy-4-methylbenzamide (CID 18071038) is N-(2-aminoethyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCCN)ccc1C.
What is the InChIKey of N-(2-aminoethyl)-3-methoxy-4-methylbenzamide?
The InChIKey is AZNWRKATGHYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-4-9(7-10(8)15-2)11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-3-methoxy-4-methylbenzamide?
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 18071038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).