N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide

C16H26ClN3O — CID 43587466

IUPACN-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
SMILESCCC(CC)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H26ClN3O/c1-4-12(5-2)10-20(6-3)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,21)
InChIKeyYHDWZNOIAIBOFN-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.62
Rot. Bonds8

About N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide

N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide (PubChem CID 43587466) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
PubChem CID43587466
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
SMILESCCC(CC)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H26ClN3O/c1-4-12(5-2)10-20(6-3)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,21)
InChIKeyYHDWZNOIAIBOFN-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.62
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(2-methylbutyl)amino]acetamide
CID 79477796
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63982422
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
N-(3-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587408
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide (CID 43587466) is N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide is CCC(CC)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The InChIKey is YHDWZNOIAIBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-12(5-2)10-20(6-3)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide has a molecular weight of 311.86 g/mol, XLogP of 3.62, 8 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-[ethyl(2-ethylbutyl)amino]acetamide is sourced from PubChem (CID 43587466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).