N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide

C20H24N4O3 — CID 120603872

IUPACN-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H24N4O3/c1-13(2)18(25)23-15-9-7-14(8-10-15)19(26)24-17-6-4-3-5-16(17)20(27)22-12-11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyKOYJIBIYCGIPSN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.22
Rot. Bonds7

About N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide

N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide (PubChem CID 120603872) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
PubChem CID120603872
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H24N4O3/c1-13(2)18(25)23-15-9-7-14(8-10-15)19(26)24-17-6-4-3-5-16(17)20(27)22-12-11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyKOYJIBIYCGIPSN-UHFFFAOYSA-N
XLogP2.22
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide (CID 120603872) is N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The InChIKey is KOYJIBIYCGIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)18(25)23-15-9-7-14(8-10-15)19(26)24-17-6-4-3-5-16(17)20(27)22-12-11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 120603872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).