N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide

C13H20N2O2 — CID 110832932

IUPACN-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
SMILESCOc1c(C)cc(CC(=O)NCCN)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-11(7-10(2)13(9)17-3)8-12(16)15-5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyDLQJYXXHUJSDLH-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds5

About N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide

N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide (PubChem CID 110832932) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
PubChem CID110832932
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
SMILESCOc1c(C)cc(CC(=O)NCCN)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-11(7-10(2)13(9)17-3)8-12(16)15-5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyDLQJYXXHUJSDLH-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide (CID 110832932) is N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide is COc1c(C)cc(CC(=O)NCCN)cc1C.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide?
The InChIKey is DLQJYXXHUJSDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-11(7-10(2)13(9)17-3)8-12(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-methoxy-3,5-dimethylphenyl)acetamide?
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 110832932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).