4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide

C16H25N3O2 — CID 82070061

IUPAC4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCCN(C)C)ccc1N
InChIInChI=1S/C16H25N3O2/c1-12(2)11-21-15-10-13(6-7-14(15)17)16(20)18-8-5-9-19(3)4/h6-7,10H,1,5,8-9,11,17H2,2-4H3,(H,18,20)
InChIKeyLICATBMYSLPHBD-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.91
Rot. Bonds8

About 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide

4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 82070061) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
PubChem CID82070061
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCCN(C)C)ccc1N
InChIInChI=1S/C16H25N3O2/c1-12(2)11-21-15-10-13(6-7-14(15)17)16(20)18-8-5-9-19(3)4/h6-7,10H,1,5,8-9,11,17H2,2-4H3,(H,18,20)
InChIKeyLICATBMYSLPHBD-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070067
3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
CID 82069692
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
CID 82069925
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide (CID 82070061) is 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cc(C(=O)NCCCN(C)C)ccc1N.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is LICATBMYSLPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)11-21-15-10-13(6-7-14(15)17)16(20)18-8-5-9-19(3)4/h6-7,10H,1,5,8-9,11,17H2,2-4H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide?
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 82070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).