N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide

C19H20N2O2 — CID 90551830

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-19(22)16-7-4-8-18(14-16)23-3/h4,7-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyKYQPEQSPZBAMDK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds4

About N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide (PubChem CID 90551830) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
PubChem CID90551830
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-19(22)16-7-4-8-18(14-16)23-3/h4,7-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyKYQPEQSPZBAMDK-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
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-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
CID 90551888
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779
N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(dimethylamino)benzamide
CID 90549625
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
3-methoxy-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551003
N-[3-(4-fluorophenyl)prop-2-ynyl]-3,5-dimethoxybenzamide
CID 90548123
N-[3-(4-acetylphenyl)prop-2-ynyl]-3,5-dimethoxybenzamide
CID 90549483
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
CID 60803244
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90551984
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide (CID 90551830) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC#Cc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide?
The InChIKey is KYQPEQSPZBAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-19(22)16-7-4-8-18(14-16)23-3/h4,7-12,14H,13H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 2.54, 4 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]-3-methoxybenzamide is sourced from PubChem (CID 90551830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).