N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide

C15H24ClN3O — CID 43295357

IUPACN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-5-10(2)9-19(4)11(3)15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyNVFBGVIBYDATCH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds6

About N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide

N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295357) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295357
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-5-10(2)9-19(4)11(3)15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyNVFBGVIBYDATCH-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
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-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-(4-carbamothioylphenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295842
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (CID 43295357) is N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is NVFBGVIBYDATCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-10(2)9-19(4)11(3)15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide has a molecular weight of 297.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).