N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide

C13H20N2O3 — CID 98016358

IUPACN-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)NCCN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-6-11(17-2)12(18-3)7-10(9)8-13(16)15-5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyVKGCQMBOUXENGS-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.63
Rot. Bonds6

About N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide

N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide (PubChem CID 98016358) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
PubChem CID98016358
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)NCCN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-6-11(17-2)12(18-3)7-10(9)8-13(16)15-5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyVKGCQMBOUXENGS-UHFFFAOYSA-N
XLogP0.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
1-amino-3-[(4,5-dimethoxy-2-methylphenyl)methyl]urea
CID 115192661
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide (CID 98016358) is N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide is COc1cc(C)c(CC(=O)NCCN)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide?
The InChIKey is VKGCQMBOUXENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-6-11(17-2)12(18-3)7-10(9)8-13(16)15-5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide?
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 98016358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).