N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H20N2O2 — CID 112603656

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2/c1-15(2,3)19-11-14(18)17-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9H,10-11,16H2,1-3H3,(H,17,18)
InChIKeyUMIUFPBKWOCEJH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603656) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603656
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2/c1-15(2,3)19-11-14(18)17-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9H,10-11,16H2,1-3H3,(H,17,18)
InChIKeyUMIUFPBKWOCEJH-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
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

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
CID 60813930
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62689712
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602120
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynoate
CID 134943764

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603656) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UMIUFPBKWOCEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)19-11-14(18)17-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9H,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).