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

C14H16N2O2 — CID 90551520

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
SMILESCCC(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H16N2O2/c1-3-14(18)15-10-4-5-12-6-8-13(9-7-12)16-11(2)17/h6-9H,3,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYDYQUUIQKQUDJD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.52
Rot. Bonds3

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

N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide (PubChem CID 90551520) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
PubChem CID90551520
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
SMILESCCC(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H16N2O2/c1-3-14(18)15-10-4-5-12-6-8-13(9-7-12)16-11(2)17/h6-9H,3,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYDYQUUIQKQUDJD-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.52
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

N-[4-[3-(tert-butylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554161
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide
CID 90551532
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
CID 90551479
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90551725
N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554201
N-[3-[4-(3-methylbutyl)phenyl]prop-2-ynyl]propanamide
CID 168888399
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
CID 90551472
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide (CID 90551520) is N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide is CCC(=O)NCC#Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide?
The InChIKey is YDYQUUIQKQUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-14(18)15-10-4-5-12-6-8-13(9-7-12)16-11(2)17/h6-9H,3,10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide has a molecular weight of 244.29 g/mol, XLogP of 1.52, 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]propanamide is sourced from PubChem (CID 90551520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).