N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide

C15H20N2O2 — CID 81292865

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)CCOC
InChIInChI=1S/C15H20N2O2/c1-3-13-11-12(5-4-9-16)6-7-14(13)17-15(18)8-10-19-2/h6-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVUKGBTUOJRFKHU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.53
Rot. Bonds5

About N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide (PubChem CID 81292865) 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-ethylphenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
PubChem CID81292865
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)CCOC
InChIInChI=1S/C15H20N2O2/c1-3-13-11-12(5-4-9-16)6-7-14(13)17-15(18)8-10-19-2/h6-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVUKGBTUOJRFKHU-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-5-bromothiophene-3-carboxamide
CID 107964055
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
CID 81288536
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide (CID 81292865) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide is CCc1cc(C#CCN)ccc1NC(=O)CCOC.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide?
The InChIKey is VUKGBTUOJRFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13-11-12(5-4-9-16)6-7-14(13)17-15(18)8-10-19-2/h6-7,11H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.53, 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-ethylphenyl]-3-methoxypropanamide is sourced from PubChem (CID 81292865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).