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

C19H18N2O3 — CID 90551553

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N2O3/c1-14(22)21-16-11-9-15(10-12-16)6-5-13-20-19(23)17-7-3-4-8-18(17)24-2/h3-4,7-12H,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNUXBWDIWKKBZGN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.44
Rot. Bonds4

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

N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide (PubChem CID 90551553) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
PubChem CID90551553
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N2O3/c1-14(22)21-16-11-9-15(10-12-16)6-5-13-20-19(23)17-7-3-4-8-18(17)24-2/h3-4,7-12H,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNUXBWDIWKKBZGN-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
CID 51332507
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554201
N-[4-[3-[(2,4-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]phenyl]acetamide
CID 90554177
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90550033
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
5-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90548144
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
CID 110351798
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
CID 90551692

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide (CID 90551553) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC#Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide?
The InChIKey is NUXBWDIWKKBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-14(22)21-16-11-9-15(10-12-16)6-5-13-20-19(23)17-7-3-4-8-18(17)24-2/h3-4,7-12H,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide is sourced from PubChem (CID 90551553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).