N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

C15H25N3O2 — CID 81059349

IUPACN-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOC(C)C)c(N)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(4)10-15(19)17-14-6-5-12(3)9-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyLNKQQNTZMJVDCU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds7

About N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (PubChem CID 81059349) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
PubChem CID81059349
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOC(C)C)c(N)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(4)10-15(19)17-14-6-5-12(3)9-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyLNKQQNTZMJVDCU-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 112657351
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide
CID 56790147

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (CID 81059349) is N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CCOC(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The InChIKey is LNKQQNTZMJVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(4)10-15(19)17-14-6-5-12(3)9-13(14)16/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is sourced from PubChem (CID 81059349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).