2,2-dimethyl-3-naphthalen-1-ylpropanamide

C15H17NO — CID 90911277

IUPAC2,2-dimethyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H17NO/c1-15(2,14(16)17)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyKYHAOQUMLFWBDH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.89
Rot. Bonds3

About 2,2-dimethyl-3-naphthalen-1-ylpropanamide

2,2-dimethyl-3-naphthalen-1-ylpropanamide (PubChem CID 90911277) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-naphthalen-1-ylpropanamide
PubChem CID90911277
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,2-dimethyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H17NO/c1-15(2,14(16)17)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyKYHAOQUMLFWBDH-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
2-methyl-2-(naphthalen-1-ylmethyl)butanedioic acid
CID 19928713
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
CID 116592613
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of 2,2-dimethyl-3-naphthalen-1-ylpropanamide (CID 90911277) is 2,2-dimethyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-naphthalen-1-ylpropanamide is CC(C)(Cc1cccc2ccccc12)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-naphthalen-1-ylpropanamide?
The InChIKey is KYHAOQUMLFWBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2,14(16)17)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,16,17).
What are the key properties of 2,2-dimethyl-3-naphthalen-1-ylpropanamide?
2,2-dimethyl-3-naphthalen-1-ylpropanamide has a molecular weight of 227.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 90911277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).