N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide

C15H23Cl2N3O — CID 29271711

IUPACN-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)CCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-3-4-7-20(2)8-5-6-14(21)19-15-12(16)9-11(18)10-13(15)17/h9-10H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyVYLWOEOYOQPCBB-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.03
Rot. Bonds8

About N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide

N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide (PubChem CID 29271711) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.27 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
PubChem CID29271711
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.27 g/mol
Exact Mass331.12
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)CCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-3-4-7-20(2)8-5-6-14(21)19-15-12(16)9-11(18)10-13(15)17/h9-10H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyVYLWOEOYOQPCBB-UHFFFAOYSA-N
XLogP4.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 62861624
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718
N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
CID 102980777
N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
CID 43294459
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide (CID 29271711) is N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide is CCCCN(C)CCCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide?
The InChIKey is VYLWOEOYOQPCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O/c1-3-4-7-20(2)8-5-6-14(21)19-15-12(16)9-11(18)10-13(15)17/h9-10H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide?
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide has a molecular weight of 332.27 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide is sourced from PubChem (CID 29271711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).