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

C19H19NO — CID 19044653

IUPACN-anthracen-2-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3,(H,20,21)
InChIKeyBRXFVYZDVQMTOX-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.98
Rot. Bonds1

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

N-anthracen-2-yl-2,2-dimethylpropanamide (PubChem CID 19044653) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-anthracen-2-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-anthracen-2-yl-2,2-dimethylpropanamide
PubChem CID19044653
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-anthracen-2-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3,(H,20,21)
InChIKeyBRXFVYZDVQMTOX-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-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 17101730
N-tert-butylanthracen-2-amine
CID 170102220
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide
CID 101498961
2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide
CID 170552919
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610

Frequently Asked Questions

What is the IUPAC name of N-anthracen-2-yl-2,2-dimethylpropanamide?
The IUPAC name of N-anthracen-2-yl-2,2-dimethylpropanamide (CID 19044653) is N-anthracen-2-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-anthracen-2-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-anthracen-2-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-anthracen-2-yl-2,2-dimethylpropanamide?
The InChIKey is BRXFVYZDVQMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2,3)18(21)20-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3,(H,20,21).
What are the key properties of N-anthracen-2-yl-2,2-dimethylpropanamide?
N-anthracen-2-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-2-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 19044653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).