2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide

C23H37N3O3 — CID 3509413

IUPAC2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)CC(C)C
InChIInChI=1S/C23H37N3O3/c1-6-8-11-19(7-2)23(29)26(15-17(3)4)16-22(28)24-14-21(27)25-20-12-9-10-18(5)13-20/h9-10,12-13,17,19H,6-8,11,14-16H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyYIIKMLDYDKLCCT-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.75
Rot. Bonds12

About 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide

2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide (PubChem CID 3509413) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
PubChem CID3509413
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)CC(C)C
InChIInChI=1S/C23H37N3O3/c1-6-8-11-19(7-2)23(29)26(15-17(3)4)16-22(28)24-14-21(27)25-20-12-9-10-18(5)13-20/h9-10,12-13,17,19H,6-8,11,14-16H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyYIIKMLDYDKLCCT-UHFFFAOYSA-N
XLogP3.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 7330763
2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4133888
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 42740387
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
CID 7337594
N-(furan-2-ylmethyl)-3-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 3887982

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?
The IUPAC name of 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide (CID 3509413) is 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide is CCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)CC(C)C.
What is the InChIKey of 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?
The InChIKey is YIIKMLDYDKLCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-6-8-11-19(7-2)23(29)26(15-17(3)4)16-22(28)24-14-21(27)25-20-12-9-10-18(5)13-20/h9-10,12-13,17,19H,6-8,11,14-16H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?
2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide has a molecular weight of 403.57 g/mol, XLogP of 3.75, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 3509413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).