3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide

C15H24N4O3 — CID 93216830

IUPAC3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C15H24N4O3/c1-17-14(20)10-22-13-6-5-11(9-12(13)16)15(21)18-7-4-8-19(2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQSASAXOXMSBSAB-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.08
Rot. Bonds8

About 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide

3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 93216830) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID93216830
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C15H24N4O3/c1-17-14(20)10-22-13-6-5-11(9-12(13)16)15(21)18-7-4-8-19(2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQSASAXOXMSBSAB-UHFFFAOYSA-N
XLogP0.08
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide (CID 93216830) is 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide is CNC(=O)COc1ccc(C(=O)NCCCN(C)C)cc1N.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is QSASAXOXMSBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-14(20)10-22-13-6-5-11(9-12(13)16)15(21)18-7-4-8-19(2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 308.38 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 93216830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).