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

C23H28ClN3O2 — CID 84566497

IUPACN-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-4-3-5-17(2)23(16)26-22(29)15-27(20-10-11-20)13-12-21(28)25-14-18-6-8-19(24)9-7-18/h3-9,20H,10-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySINBHDVBFRVHAY-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.07
Rot. Bonds9

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

N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84566497) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
PubChem CID84566497
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-4-3-5-17(2)23(16)26-22(29)15-27(20-10-11-20)13-12-21(28)25-14-18-6-8-19(24)9-7-18/h3-9,20H,10-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySINBHDVBFRVHAY-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoic acid
CID 84566498
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351
N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
CID 108946748
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
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
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60967771
N-(4-chloro-2-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567375
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84566497) is N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1cccc(C)c1NC(=O)CN(CCC(=O)NCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is SINBHDVBFRVHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16-4-3-5-17(2)23(16)26-22(29)15-27(20-10-11-20)13-12-21(28)25-14-18-6-8-19(24)9-7-18/h3-9,20H,10-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?
N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 413.95 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84566497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).