N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane

C20H25N3O — CID 164529364

IUPACN-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
SMILESCC.CC(C)(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C18H19N3O.C2H6/c1-18(2,3)17(22)20-14-7-5-12-8-11-4-6-13(19)9-15(11)21-16(12)10-14;1-2/h4-10H,19H2,1-3H3,(H,20,22);1-2H3
InChIKeyGNZIFDQZCNRLPO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.98
Rot. Bonds1

About N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane

N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane (PubChem CID 164529364) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
PubChem CID164529364
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
SMILESCC.CC(C)(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C18H19N3O.C2H6/c1-18(2,3)17(22)20-14-7-5-12-8-11-4-6-13(19)9-15(11)21-16(12)10-14;1-2/h4-10H,19H2,1-3H3,(H,20,22);1-2H3
InChIKeyGNZIFDQZCNRLPO-UHFFFAOYSA-N
XLogP4.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
CID 102477070
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide
CID 21438213
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide
CID 101498961
N-[6-(2,2-dimethylpropanoylamino)-10-methylacridin-10-ium-3-yl]-2,2-dimethylpropanamide tetrafluoroborate
CID 164529385
2-hydroxy-2-methyl-N-(2-methylquinolin-6-yl)propanamide
CID 139918789
2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
CID 21438228
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 17101730

Frequently Asked Questions

What is the IUPAC name of N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane (CID 164529364) is N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane is CC.CC(C)(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1.
What is the InChIKey of N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane?
The InChIKey is GNZIFDQZCNRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.C2H6/c1-18(2,3)17(22)20-14-7-5-12-8-11-4-6-13(19)9-15(11)21-16(12)10-14;1-2/h4-10H,19H2,1-3H3,(H,20,22);1-2H3.
What are the key properties of N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane?
N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane has a molecular weight of 323.44 g/mol, XLogP of 4.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 164529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).