N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide

C15H21Cl2N3O — CID 62861624

IUPACN-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cc(N)cc1Cl)CC1CCC1
InChIInChI=1S/C15H21Cl2N3O/c1-20(9-10-3-2-4-10)6-5-14(21)19-15-12(16)7-11(18)8-13(15)17/h7-8,10H,2-6,9,18H2,1H3,(H,19,21)
InChIKeyFASKBVRTMYMWAT-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.64
Rot. Bonds6

About N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide

N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide (PubChem CID 62861624) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
PubChem CID62861624
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cc(N)cc1Cl)CC1CCC1
InChIInChI=1S/C15H21Cl2N3O/c1-20(9-10-3-2-4-10)6-5-14(21)19-15-12(16)7-11(18)8-13(15)17/h7-8,10H,2-6,9,18H2,1H3,(H,19,21)
InChIKeyFASKBVRTMYMWAT-UHFFFAOYSA-N
XLogP3.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.64
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-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide (CID 62861624) is N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1c(Cl)cc(N)cc1Cl)CC1CCC1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The InChIKey is FASKBVRTMYMWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-20(9-10-3-2-4-10)6-5-14(21)19-15-12(16)7-11(18)8-13(15)17/h7-8,10H,2-6,9,18H2,1H3,(H,19,21).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide has a molecular weight of 330.26 g/mol, XLogP of 3.64, 6 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)-3-[cyclobutylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 62861624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).