N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide

C17H29N3O — CID 43587408

IUPACN-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
SMILESCCC(CC)CN(CC)CC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C17H29N3O/c1-5-14(6-2)11-20(7-3)12-16(21)19-17-13(4)9-8-10-15(17)18/h8-10,14H,5-7,11-12,18H2,1-4H3,(H,19,21)
InChIKeyIHLRIBBJQKFZFU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.27
Rot. Bonds8

About N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide

N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide (PubChem CID 43587408) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
PubChem CID43587408
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
SMILESCCC(CC)CN(CC)CC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C17H29N3O/c1-5-14(6-2)11-20(7-3)12-16(21)19-17-13(4)9-8-10-15(17)18/h8-10,14H,5-7,11-12,18H2,1-4H3,(H,19,21)
InChIKeyIHLRIBBJQKFZFU-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.27
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-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587466
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 55174325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide (CID 43587408) is N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide is CCC(CC)CN(CC)CC(=O)Nc1c(C)cccc1N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
The InChIKey is IHLRIBBJQKFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-14(6-2)11-20(7-3)12-16(21)19-17-13(4)9-8-10-15(17)18/h8-10,14H,5-7,11-12,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide?
N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide is sourced from PubChem (CID 43587408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).