(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

C23H37N3O3 — CID 7330763

IUPAC(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H37N3O3/c1-5-8-10-19(7-3)23(29)26(15-9-6-2)17-22(28)24-16-21(27)25-20-13-11-18(4)12-14-20/h11-14,19H,5-10,15-17H2,1-4H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyJKXIJZHLWGUOOG-LJQANCHMSA-N
MW403.57 g/mol
LogP3.89
Rot. Bonds13

About (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (PubChem CID 7330763) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
PubChem CID7330763
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H37N3O3/c1-5-8-10-19(7-3)23(29)26(15-9-6-2)17-22(28)24-16-21(27)25-20-13-11-18(4)12-14-20/h11-14,19H,5-10,15-17H2,1-4H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyJKXIJZHLWGUOOG-LJQANCHMSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide with MolForge

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Related Compounds

2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4133888
2-ethyl-N-(3-methoxypropyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4555666
N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3509413
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 3637083
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
2-[3-(4-methylanilino)-3-oxopropyl]hexanoic acid
CID 45126619

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The IUPAC name of (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (CID 7330763) is (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The canonical SMILES for (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide is CCCC[C@@H](CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The InChIKey is JKXIJZHLWGUOOG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-5-8-10-19(7-3)23(29)26(15-9-6-2)17-22(28)24-16-21(27)25-20-13-11-18(4)12-14-20/h11-14,19H,5-10,15-17H2,1-4H3,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 403.57 g/mol, XLogP of 3.89, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 7330763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).