3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide

C23H36N4O3 — CID 84566540

IUPAC3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCCCN2CCOCC2)C2CC2)c1
InChIInChI=1S/C23H36N4O3/c1-18-4-5-19(2)21(16-18)25-23(29)17-27(20-6-7-20)11-8-22(28)24-9-3-10-26-12-14-30-15-13-26/h4-5,16,20H,3,6-15,17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCJJWGCWOLKEENF-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.93
Rot. Bonds11

About 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 84566540) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID84566540
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCCCN2CCOCC2)C2CC2)c1
InChIInChI=1S/C23H36N4O3/c1-18-4-5-19(2)21(16-18)25-23(29)17-27(20-6-7-20)11-8-22(28)24-9-3-10-26-12-14-30-15-13-26/h4-5,16,20H,3,6-15,17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCJJWGCWOLKEENF-UHFFFAOYSA-N
XLogP1.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 84566577
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 84566567
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 84566538
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567171

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide (CID 84566540) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)NCCCN2CCOCC2)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is CJJWGCWOLKEENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-18-4-5-19(2)21(16-18)25-23(29)17-27(20-6-7-20)11-8-22(28)24-9-3-10-26-12-14-30-15-13-26/h4-5,16,20H,3,6-15,17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 416.57 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 84566540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).