N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

C23H28N4O3 — CID 40715510

IUPACN-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H28N4O3/c1-15-7-6-8-16(2)22(15)26-21(29)14-27(3)13-20(28)25-19-10-5-4-9-18(19)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyLAYJBHMRUQQWSD-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.70
Rot. Bonds8

About N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (PubChem CID 40715510) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
PubChem CID40715510
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H28N4O3/c1-15-7-6-8-16(2)22(15)26-21(29)14-27(3)13-20(28)25-19-10-5-4-9-18(19)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyLAYJBHMRUQQWSD-UHFFFAOYSA-N
XLogP2.70
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (CID 40715510) is N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The InChIKey is LAYJBHMRUQQWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-7-6-8-16(2)22(15)26-21(29)14-27(3)13-20(28)25-19-10-5-4-9-18(19)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29).
What are the key properties of N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 40715510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).