3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide

C18H22N2O3 — CID 86780225

IUPAC3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-14(12-15(13)19)18(21)20(2)10-11-23-17-7-5-4-6-16(17)22-3/h4-9,12H,10-11,19H2,1-3H3
InChIKeyFHZYGCOABDOTQS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide

3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide (PubChem CID 86780225) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
PubChem CID86780225
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-14(12-15(13)19)18(21)20(2)10-11-23-17-7-5-4-6-16(17)22-3/h4-9,12H,10-11,19H2,1-3H3
InChIKeyFHZYGCOABDOTQS-UHFFFAOYSA-N
XLogP2.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 47067365

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide (CID 86780225) is 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide is COc1ccccc1OCCN(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The InChIKey is FHZYGCOABDOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-8-9-14(12-15(13)19)18(21)20(2)10-11-23-17-7-5-4-6-16(17)22-3/h4-9,12H,10-11,19H2,1-3H3.
What are the key properties of 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 86780225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).