N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide

C14H18N2O2 — CID 79286722

IUPACN-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18N2O2/c1-4-9-15-10-14(17)16-12-5-7-13(8-6-12)18-11(2)3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17)
InChIKeyWFPUWURPLUZGDA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.64
Rot. Bonds6

About N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide

N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286722) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286722
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18N2O2/c1-4-9-15-10-14(17)16-12-5-7-13(8-6-12)18-11(2)3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17)
InChIKeyWFPUWURPLUZGDA-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
3-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]butanoic acid
CID 104503034
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide (CID 79286722) is N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is WFPUWURPLUZGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9-15-10-14(17)16-12-5-7-13(8-6-12)18-11(2)3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).