N-anthracen-1-yl-2,2-dimethylpropanamide

C19H19NO — CID 54051117

IUPACN-anthracen-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17/h4-12H,1-3H3,(H,20,21)
InChIKeyLSXRNVQQDCTNFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.98
Rot. Bonds1

About N-anthracen-1-yl-2,2-dimethylpropanamide

N-anthracen-1-yl-2,2-dimethylpropanamide (PubChem CID 54051117) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-anthracen-1-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-anthracen-1-yl-2,2-dimethylpropanamide
PubChem CID54051117
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-anthracen-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17/h4-12H,1-3H3,(H,20,21)
InChIKeyLSXRNVQQDCTNFQ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
N-anthracen-1-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20629356
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813172
N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
CID 21082664
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011

Frequently Asked Questions

What is the IUPAC name of N-anthracen-1-yl-2,2-dimethylpropanamide?
The IUPAC name of N-anthracen-1-yl-2,2-dimethylpropanamide (CID 54051117) is N-anthracen-1-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-anthracen-1-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-anthracen-1-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2cc3ccccc3cc12.
What is the InChIKey of N-anthracen-1-yl-2,2-dimethylpropanamide?
The InChIKey is LSXRNVQQDCTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17/h4-12H,1-3H3,(H,20,21).
What are the key properties of N-anthracen-1-yl-2,2-dimethylpropanamide?
N-anthracen-1-yl-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-1-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 54051117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).