2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide

C20H23N3O2 — CID 163793257

IUPAC2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide
SMILESC=C(C)CNCCNC(=O)c1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C20H23N3O2/c1-14(2)13-22-11-12-23-20(25)16-8-4-3-7-15(16)19(24)17-9-5-6-10-18(17)21/h3-10,22H,1,11-13,21H2,2H3,(H,23,25)
InChIKeyMYQVPUJVEXTNTF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.40
Rot. Bonds8

About 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide

2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide (PubChem CID 163793257) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide
PubChem CID163793257
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide
SMILESC=C(C)CNCCNC(=O)c1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C20H23N3O2/c1-14(2)13-22-11-12-23-20(25)16-8-4-3-7-15(16)19(24)17-9-5-6-10-18(17)21/h3-10,22H,1,11-13,21H2,2H3,(H,23,25)
InChIKeyMYQVPUJVEXTNTF-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide?
The IUPAC name of 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide (CID 163793257) is 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide.
What is the SMILES notation for 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide?
The canonical SMILES for 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide is C=C(C)CNCCNC(=O)c1ccccc1C(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide?
The InChIKey is MYQVPUJVEXTNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)13-22-11-12-23-20(25)16-8-4-3-7-15(16)19(24)17-9-5-6-10-18(17)21/h3-10,22H,1,11-13,21H2,2H3,(H,23,25).
What are the key properties of 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide?
2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzoyl)-N-[2-(2-methylprop-2-enylamino)ethyl]benzamide is sourced from PubChem (CID 163793257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).