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

C15H23N3O2 — CID 82070067

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCN(C)C)ccc1N
InChIInChI=1S/C15H23N3O2/c1-11(2)10-20-14-9-12(5-6-13(14)16)15(19)17-7-8-18(3)4/h5-6,9H,1,7-8,10,16H2,2-4H3,(H,17,19)
InChIKeyQBDWYXVAMFDDCX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds7

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

4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 82070067) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
PubChem CID82070067
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCN(C)C)ccc1N
InChIInChI=1S/C15H23N3O2/c1-11(2)10-20-14-9-12(5-6-13(14)16)15(19)17-7-8-18(3)4/h5-6,9H,1,7-8,10,16H2,2-4H3,(H,17,19)
InChIKeyQBDWYXVAMFDDCX-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052
3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide (CID 82070067) is 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cc(C(=O)NCCN(C)C)ccc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is QBDWYXVAMFDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)10-20-14-9-12(5-6-13(14)16)15(19)17-7-8-18(3)4/h5-6,9H,1,7-8,10,16H2,2-4H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide?
4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 82070067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).