3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide

C19H29N3O3 — CID 84565854

IUPAC3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
InChIInChI=1S/C19H29N3O3/c1-14-5-4-6-15(2)19(14)21-18(24)13-22(16-7-8-16)11-9-17(23)20-10-12-25-3/h4-6,16H,7-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPHWTXCCOOBXFMR-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.86
Rot. Bonds10

About 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 84565854) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID84565854
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
InChIInChI=1S/C19H29N3O3/c1-14-5-4-6-15(2)19(14)21-18(24)13-22(16-7-8-16)11-9-17(23)20-10-12-25-3/h4-6,16H,7-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPHWTXCCOOBXFMR-UHFFFAOYSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-propan-2-ylpropanamide
CID 84565827
N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566497
4-[[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoic acid
CID 84566498
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
methyl 3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84567361
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
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-[4-(diethylamino)phenyl]propanamide
CID 84566697

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide (CID 84565854) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is PHWTXCCOOBXFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-5-4-6-15(2)19(14)21-18(24)13-22(16-7-8-16)11-9-17(23)20-10-12-25-3/h4-6,16H,7-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 84565854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).