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

C19H18N2O2 — CID 90551549

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-5-9-17(10-6-14)19(23)20-13-3-4-16-7-11-18(12-8-16)21-15(2)22/h5-12H,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAPLZTLFYWGIZPC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.73
Rot. Bonds3

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

N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide (PubChem CID 90551549) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
PubChem CID90551549
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-5-9-17(10-6-14)19(23)20-13-3-4-16-7-11-18(12-8-16)21-15(2)22/h5-12H,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAPLZTLFYWGIZPC-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
N-[4-[3-(tert-butylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554161
N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554201
N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
CID 90551692
N-(4-methylphenyl)acetamide
CID 7684
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
CID 110670540
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
4-[3-[(4-bromobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549771

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide (CID 90551549) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide is CC(=O)Nc1ccc(C#CCNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide?
The InChIKey is APLZTLFYWGIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-5-9-17(10-6-14)19(23)20-13-3-4-16-7-11-18(12-8-16)21-15(2)22/h5-12H,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide is sourced from PubChem (CID 90551549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).