N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide

C17H19NO — CID 50849902

IUPACN,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)15-11-10-13-9-8-12-6-5-7-14(15)16(12)13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeySCSKJPUESLBRSE-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.42
Rot. Bonds3

About N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide

N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 50849902) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID50849902
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)15-11-10-13-9-8-12-6-5-7-14(15)16(12)13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeySCSKJPUESLBRSE-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-3-methylpentan-1-one
CID 114939131
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
methyl 4-(1,2-dihydroacenaphthylen-5-yl)-2,4-dioxobutanoate
CID 3325600
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24595934
(4-tert-butylphenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 91678703
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 114939814
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114938958
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37397845
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide (CID 50849902) is N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide is CCN(CC)C(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is SCSKJPUESLBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-18(4-2)17(19)15-11-10-13-9-8-12-6-5-7-14(15)16(12)13/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide?
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 50849902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).