3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide

C24H39N3O2 — CID 84566499

IUPAC3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide
SMILESCCCCCC(CC)NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
InChIInChI=1S/C24H39N3O2/c1-5-7-8-12-20(6-2)25-22(28)15-16-27(21-13-14-21)17-23(29)26-24-18(3)10-9-11-19(24)4/h9-11,20-21H,5-8,12-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyZNBBXIGADMZAOD-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.57
Rot. Bonds13

About 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide (PubChem CID 84566499) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide
PubChem CID84566499
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide
SMILESCCCCCC(CC)NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
InChIInChI=1S/C24H39N3O2/c1-5-7-8-12-20(6-2)25-22(28)15-16-27(21-13-14-21)17-23(29)26-24-18(3)10-9-11-19(24)4/h9-11,20-21H,5-8,12-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyZNBBXIGADMZAOD-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
2-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]pentanoic acid
CID 84565877
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567380
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 84567313
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
CID 84566697
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566497
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 84562403
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide (CID 84566499) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide is CCCCCC(CC)NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide?
The InChIKey is ZNBBXIGADMZAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-5-7-8-12-20(6-2)25-22(28)15-16-27(21-13-14-21)17-23(29)26-24-18(3)10-9-11-19(24)4/h9-11,20-21H,5-8,12-17H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide?
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide has a molecular weight of 401.60 g/mol, XLogP of 4.57, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide is sourced from PubChem (CID 84566499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).