N,N-diethylphenanthrene-2-carboxamide

C19H19NO — CID 15466572

IUPACN,N-diethylphenanthrene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H19NO/c1-3-20(4-2)19(21)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-13H,3-4H2,1-2H3
InChIKeyUACUPVLGALUUDS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.47
Rot. Bonds3

About N,N-diethylphenanthrene-2-carboxamide

N,N-diethylphenanthrene-2-carboxamide (PubChem CID 15466572) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethylphenanthrene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethylphenanthrene-2-carboxamide
PubChem CID15466572
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN,N-diethylphenanthrene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H19NO/c1-3-20(4-2)19(21)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-13H,3-4H2,1-2H3
InChIKeyUACUPVLGALUUDS-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.47
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-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
phenanthren-2-yl(phenyl)methanone
CID 131857195
CID 174412487
CID 174412487
N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
CID 12988887
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
N,N-diethyl-1-naphthalen-2-ylnaphthalene-2-carboxamide
CID 59365458
N,N-diethyl-9H-xanthene-3-carboxamide
CID 69349327
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828

Frequently Asked Questions

What is the IUPAC name of N,N-diethylphenanthrene-2-carboxamide?
The IUPAC name of N,N-diethylphenanthrene-2-carboxamide (CID 15466572) is N,N-diethylphenanthrene-2-carboxamide.
What is the SMILES notation for N,N-diethylphenanthrene-2-carboxamide?
The canonical SMILES for N,N-diethylphenanthrene-2-carboxamide is CCN(CC)C(=O)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of N,N-diethylphenanthrene-2-carboxamide?
The InChIKey is UACUPVLGALUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-20(4-2)19(21)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethylphenanthrene-2-carboxamide?
N,N-diethylphenanthrene-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylphenanthrene-2-carboxamide is sourced from PubChem (CID 15466572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).