N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide

C16H21NO — CID 58612092

IUPACN-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide
SMILESC=CNC(=O)C1CC(C)(C)Cc2ccc(C)cc21
InChIInChI=1S/C16H21NO/c1-5-17-15(18)14-10-16(3,4)9-12-7-6-11(2)8-13(12)14/h5-8,14H,1,9-10H2,2-4H3,(H,17,18)
InChIKeyYZDDAQSSSMPZPQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.31
Rot. Bonds2

About N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide

N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide (PubChem CID 58612092) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide
PubChem CID58612092
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide
SMILESC=CNC(=O)C1CC(C)(C)Cc2ccc(C)cc21
InChIInChI=1S/C16H21NO/c1-5-17-15(18)14-10-16(3,4)9-12-7-6-11(2)8-13(12)14/h5-8,14H,1,9-10H2,2-4H3,(H,17,18)
InChIKeyYZDDAQSSSMPZPQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide?
The IUPAC name of N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide (CID 58612092) is N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide.
What is the SMILES notation for N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide?
The canonical SMILES for N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide is C=CNC(=O)C1CC(C)(C)Cc2ccc(C)cc21.
What is the InChIKey of N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide?
The InChIKey is YZDDAQSSSMPZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-17-15(18)14-10-16(3,4)9-12-7-6-11(2)8-13(12)14/h5-8,14H,1,9-10H2,2-4H3,(H,17,18).
What are the key properties of N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide?
N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 58612092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).