2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide

C16H26N4O — CID 69491556

IUPAC2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCN1C
InChIInChI=1S/C16H26N4O/c1-12-11-13(18-15(21)16(2,3)17)7-8-14(12)20-10-6-5-9-19(20)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,21)
InChIKeyJEIMENYQCDYGCG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide

2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide (PubChem CID 69491556) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide
PubChem CID69491556
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCN1C
InChIInChI=1S/C16H26N4O/c1-12-11-13(18-15(21)16(2,3)17)7-8-14(12)20-10-6-5-9-19(20)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,21)
InChIKeyJEIMENYQCDYGCG-UHFFFAOYSA-N
XLogP2.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide
CID 87846272
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 55245402
3-(2,2-dimethylpropanoylamino)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38118120
3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
CID 110024527
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
CID 119337473
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 75463765
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024
2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
CID 70320378

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide (CID 69491556) is 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide is Cc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCN1C.
What is the InChIKey of 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide?
The InChIKey is JEIMENYQCDYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-11-13(18-15(21)16(2,3)17)7-8-14(12)20-10-6-5-9-19(20)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,21).
What are the key properties of 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide?
2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide is sourced from PubChem (CID 69491556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).