4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide

C15H25N3O2 — CID 63357003

IUPAC4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(CCOC)CC(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(15(19)17-3)5-6-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyIMQYXCAHHKLVQF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.74
Rot. Bonds7

About 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide

4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide (PubChem CID 63357003) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
PubChem CID63357003
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(CCOC)CC(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(15(19)17-3)5-6-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyIMQYXCAHHKLVQF-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.74
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

4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
4-amino-3-[bis(3-methylbutyl)amino]benzoic acid
CID 107870735
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
CID 63856095

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide (CID 63357003) is 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(N(CCOC)CC(C)C)c1.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide?
The InChIKey is IMQYXCAHHKLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(15(19)17-3)5-6-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide?
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide is sourced from PubChem (CID 63357003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).