N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide

C16H26N2O — CID 81486693

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)(CN)C(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-11(2)16(5,10-17)18-15(19)9-14-7-6-12(3)13(4)8-14/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyYABQLVWLMWKKAN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.34
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 81486693) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID81486693
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)(CN)C(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-11(2)16(5,10-17)18-15(19)9-14-7-6-12(3)13(4)8-14/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyYABQLVWLMWKKAN-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentanamide
CID 9815041
N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]phenyl}pentanamide
CID 10271564
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
2-(3-methylphenyl)-N-[2-(1-piperidinyl)ethyl]acetamide
CID 6465738
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051
Acetamide, N-(2-(dimethylamino)ethyl)-2-phenyl-
CID 44430
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6465707
N-cycloheptyl-2-(2-methylphenyl)acetamide
CID 6467458
N-[1-(3,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6469972
N-butyl-2-(4-methylphenyl)acetamide
CID 1825321

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide (CID 81486693) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC(C)(CN)C(C)C)cc1C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is YABQLVWLMWKKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)16(5,10-17)18-15(19)9-14-7-6-12(3)13(4)8-14/h6-8,11H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 81486693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).