N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide

C15H20N2O2 — CID 107940419

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(C#CCN)cc1C
InChIInChI=1S/C15H20N2O2/c1-3-9-19-11-15(18)17-14-7-6-13(5-4-8-16)10-12(14)2/h6-7,10H,3,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyNNCQJEXXMINECO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds5

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide (PubChem CID 107940419) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
PubChem CID107940419
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(C#CCN)cc1C
InChIInChI=1S/C15H20N2O2/c1-3-9-19-11-15(18)17-14-7-6-13(5-4-8-16)10-12(14)2/h6-7,10H,3,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyNNCQJEXXMINECO-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
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-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021948
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-tert-butylsulfanylacetamide
CID 60814387
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813431
3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
CID 55091695
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide (CID 107940419) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(C#CCN)cc1C.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide?
The InChIKey is NNCQJEXXMINECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-19-11-15(18)17-14-7-6-13(5-4-8-16)10-12(14)2/h6-7,10H,3,8-9,11,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide is sourced from PubChem (CID 107940419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).