N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide

C16H22N2O2 — CID 79287379

IUPACN-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)c1ccccc1OC(C)C
InChIInChI=1S/C16H22N2O2/c1-5-10-17-11-16(19)18-13(4)14-8-6-7-9-15(14)20-12(2)3/h1,6-9,12-13,17H,10-11H2,2-4H3,(H,18,19)
InChIKeyRTLUZDSYQJTIGK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds7

About N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide

N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287379) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287379
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)c1ccccc1OC(C)C
InChIInChI=1S/C16H22N2O2/c1-5-10-17-11-16(19)18-13(4)14-8-6-7-9-15(14)20-12(2)3/h1,6-9,12-13,17H,10-11H2,2-4H3,(H,18,19)
InChIKeyRTLUZDSYQJTIGK-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
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

2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
CID 60941628
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
N-[1-(2,4-dimethylphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287564
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide (CID 79287379) is N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(C)c1ccccc1OC(C)C.
What is the InChIKey of N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is RTLUZDSYQJTIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-10-17-11-16(19)18-13(4)14-8-6-7-9-15(14)20-12(2)3/h1,6-9,12-13,17H,10-11H2,2-4H3,(H,18,19).
What are the key properties of N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).