N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide

C17H23Cl2N3O2 — CID 86918939

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-10(14-7-4-12(18)8-15(14)19)20-11(2)17(24)22(3)9-16(23)21-13-5-6-13/h4,7-8,10-11,13,20H,5-6,9H2,1-3H3,(H,21,23)
InChIKeyAFNYQOLPDIMEDS-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.77
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 86918939) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
PubChem CID86918939
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-10(14-7-4-12(18)8-15(14)19)20-11(2)17(24)22(3)9-16(23)21-13-5-6-13/h4,7-8,10-11,13,20H,5-6,9H2,1-3H3,(H,21,23)
InChIKeyAFNYQOLPDIMEDS-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
4-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide
CID 111066175
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide (CID 86918939) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide is CC(NC(C)c1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is AFNYQOLPDIMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-10(14-7-4-12(18)8-15(14)19)20-11(2)17(24)22(3)9-16(23)21-13-5-6-13/h4,7-8,10-11,13,20H,5-6,9H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 372.30 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 86918939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).