4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide

C14H23N3O — CID 66428621

IUPAC4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
SMILESCCN(c1cccc(C)c1)C(CN)CC(=O)NC
InChIInChI=1S/C14H23N3O/c1-4-17(12-7-5-6-11(2)8-12)13(10-15)9-14(18)16-3/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyIJULCKDFJFATPE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds6

About 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide

4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide (PubChem CID 66428621) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
PubChem CID66428621
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
SMILESCCN(c1cccc(C)c1)C(CN)CC(=O)NC
InChIInChI=1S/C14H23N3O/c1-4-17(12-7-5-6-11(2)8-12)13(10-15)9-14(18)16-3/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyIJULCKDFJFATPE-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
CID 64711772
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
4-O-[1-(N-ethyl-3-methylanilino)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 70633161
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide (CID 66428621) is 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide is CCN(c1cccc(C)c1)C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide?
The InChIKey is IJULCKDFJFATPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(12-7-5-6-11(2)8-12)13(10-15)9-14(18)16-3/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide?
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide is sourced from PubChem (CID 66428621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).