3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide

C26H36N4O2 — CID 84566697

IUPAC3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)cc1
InChIInChI=1S/C26H36N4O2/c1-5-29(6-2)22-12-10-21(11-13-22)27-24(31)16-17-30(23-14-15-23)18-25(32)28-26-19(3)8-7-9-20(26)4/h7-13,23H,5-6,14-18H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyOUINFSWZJWYAOC-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.58
Rot. Bonds11

About 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 84566697) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
PubChem CID84566697
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)cc1
InChIInChI=1S/C26H36N4O2/c1-5-29(6-2)22-12-10-21(11-13-22)27-24(31)16-17-30(23-14-15-23)18-25(32)28-26-19(3)8-7-9-20(26)4/h7-13,23H,5-6,14-18H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyOUINFSWZJWYAOC-UHFFFAOYSA-N
XLogP4.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 84567286
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-(3-methylphenyl)propanamide
CID 84567301
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
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-ethyl-N-(2-hydroxyethyl)propanamide
CID 84562403
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
N-(4-chloro-3-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567295
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide (CID 84566697) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is OUINFSWZJWYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-5-29(6-2)22-12-10-21(11-13-22)27-24(31)16-17-30(23-14-15-23)18-25(32)28-26-19(3)8-7-9-20(26)4/h7-13,23H,5-6,14-18H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide?
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 436.60 g/mol, XLogP of 4.58, 11 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-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 84566697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).