N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide

C21H19NO — CID 142945086

IUPACN-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide
SMILESCCN(C)C(=O)C1=Cc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C21H19NO/c1-3-22(2)21(23)16-12-15-9-11-18-17-7-5-4-6-14(17)8-10-19(18)20(15)13-16/h4-12H,3,13H2,1-2H3
InChIKeyPQDAKMGCYOTVHV-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.41
Rot. Bonds2

About N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide

N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide (PubChem CID 142945086) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide
PubChem CID142945086
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide
SMILESCCN(C)C(=O)C1=Cc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C21H19NO/c1-3-22(2)21(23)16-12-15-9-11-18-17-7-5-4-6-14(17)8-10-19(18)20(15)13-16/h4-12H,3,13H2,1-2H3
InChIKeyPQDAKMGCYOTVHV-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylphenanthrene-2-carboxamide
CID 15466572
acetic acid;chrysene
CID 175201446
butane;chrysene;ethane
CID 143984277
N,N-dimethylchrysene-1-carboxamide
CID 140682617
1-hydroxypentan-2-one;1,2,3,4-tetrahydrochrysene
CID 174551823
CID 172736584
CID 172736584
2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
CID 175436495
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
CID 71527325
N-acetylacetamide;1,4-dihydrochrysene-2,3-dione
CID 174388354
chrysene;iron
CID 157379031
15H-cyclopenta[a]phenanthrene;methane
CID 158927443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide?
The IUPAC name of N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide (CID 142945086) is N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide is CCN(C)C(=O)C1=Cc2ccc3c(ccc4ccccc43)c2C1.
What is the InChIKey of N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide?
The InChIKey is PQDAKMGCYOTVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-3-22(2)21(23)16-12-15-9-11-18-17-7-5-4-6-14(17)8-10-19(18)20(15)13-16/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide?
N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide is sourced from PubChem (CID 142945086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).