N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide

C24H24N2O2 — CID 90551875

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C24H24N2O2/c1-4-28-22-16-13-19-9-5-6-10-21(19)23(22)24(27)25-17-7-8-18-11-14-20(15-12-18)26(2)3/h5-6,9-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyBKYWBNAUCUBSHZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 90551875) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID90551875
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C24H24N2O2/c1-4-28-22-16-13-19-9-5-6-10-21(19)23(22)24(27)25-17-7-8-18-11-14-20(15-12-18)26(2)3/h5-6,9-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyBKYWBNAUCUBSHZ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90549519
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
CID 90578907
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90576179
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90552002

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide (CID 90551875) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is BKYWBNAUCUBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-4-28-22-16-13-19-9-5-6-10-21(19)23(22)24(27)25-17-7-8-18-11-14-20(15-12-18)26(2)3/h5-6,9-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 90551875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).