2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide

C16H27N3O2 — CID 80555464

IUPAC2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
SMILESCOCCN(C)CCNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H27N3O2/c1-16(2,13-5-7-14(17)8-6-13)15(20)18-9-10-19(3)11-12-21-4/h5-8H,9-12,17H2,1-4H3,(H,18,20)
InChIKeyYQHZNJXWCTYJEH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.24
Rot. Bonds8

About 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide

2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide (PubChem CID 80555464) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
PubChem CID80555464
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
SMILESCOCCN(C)CCNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H27N3O2/c1-16(2,13-5-7-14(17)8-6-13)15(20)18-9-10-19(3)11-12-21-4/h5-8H,9-12,17H2,1-4H3,(H,18,20)
InChIKeyYQHZNJXWCTYJEH-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855399
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide (CID 80555464) is 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide is COCCN(C)CCNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is YQHZNJXWCTYJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,13-5-7-14(17)8-6-13)15(20)18-9-10-19(3)11-12-21-4/h5-8H,9-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide?
2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 80555464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).