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

C15H24ClN3O — CID 79477796

IUPACN-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-4-11(3)9-19(5-2)10-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20)
InChIKeyBNLFTHAQPSRLCQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds7

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

N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide (PubChem CID 79477796) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
PubChem CID79477796
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-4-11(3)9-19(5-2)10-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20)
InChIKeyBNLFTHAQPSRLCQ-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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(2-ethylbutyl)amino]acetamide
CID 43587466
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-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
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-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide (CID 79477796) is N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide is CCC(C)CN(CC)CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide?
The InChIKey is BNLFTHAQPSRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-11(3)9-19(5-2)10-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.23, 7 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-methylbutyl)amino]acetamide is sourced from PubChem (CID 79477796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).