4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide

C15H26N4O2 — CID 63358675

IUPAC4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
SMILESCOCCN(C)CCNc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C15H26N4O2/c1-18(2)15(20)12-5-6-13(16)14(11-12)17-7-8-19(3)9-10-21-4/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyRGWKVKXHNFIFGZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.96
Rot. Bonds8

About 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide

4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide (PubChem CID 63358675) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
PubChem CID63358675
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
SMILESCOCCN(C)CCNc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C15H26N4O2/c1-18(2)15(20)12-5-6-13(16)14(11-12)17-7-8-19(3)9-10-21-4/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyRGWKVKXHNFIFGZ-UHFFFAOYSA-N
XLogP0.96
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide (CID 63358675) is 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide is COCCN(C)CCNc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide?
The InChIKey is RGWKVKXHNFIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(2)15(20)12-5-6-13(16)14(11-12)17-7-8-19(3)9-10-21-4/h5-6,11,17H,7-10,16H2,1-4H3.
What are the key properties of 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide?
4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63358675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).