N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide

C15H21N3O3 — CID 82070052

IUPACN-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCNC(C)=O)ccc1N
InChIInChI=1S/C15H21N3O3/c1-10(2)9-21-14-8-12(4-5-13(14)16)15(20)18-7-6-17-11(3)19/h4-5,8H,1,6-7,9,16H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyPIYFUEUWDSQSPS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.09
Rot. Bonds7

About N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide

N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 82070052) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
PubChem CID82070052
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cc(C(=O)NCCNC(C)=O)ccc1N
InChIInChI=1S/C15H21N3O3/c1-10(2)9-21-14-8-12(4-5-13(14)16)15(20)18-7-6-17-11(3)19/h4-5,8H,1,6-7,9,16H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyPIYFUEUWDSQSPS-UHFFFAOYSA-N
XLogP1.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
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
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
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
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-amino-4-(2-methylprop-2-enoxy)benzoic acid
CID 82057319
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide (CID 82070052) is N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cc(C(=O)NCCNC(C)=O)ccc1N.
What is the InChIKey of N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is PIYFUEUWDSQSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)9-21-14-8-12(4-5-13(14)16)15(20)18-7-6-17-11(3)19/h4-5,8H,1,6-7,9,16H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide?
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 82070052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).