N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide

C15H20N2O — CID 60804807

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O/c1-3-12(4-2)15(18)17-14-10-6-5-8-13(14)9-7-11-16/h5-6,8,10,12H,3-4,11,16H2,1-2H3,(H,17,18)
InChIKeyLLIMIJKVHZQDFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide (PubChem CID 60804807) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
PubChem CID60804807
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O/c1-3-12(4-2)15(18)17-14-10-6-5-8-13(14)9-7-11-16/h5-6,8,10,12H,3-4,11,16H2,1-2H3,(H,17,18)
InChIKeyLLIMIJKVHZQDFT-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propylpentanamide
CID 82987618
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-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603656
2-(2-ethylbutanoylamino)benzamide
CID 1214109
N-[2-(3-aminoprop-1-ynyl)phenyl]-3-chloro-5-methylbenzamide
CID 81315690
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873
4-amino-2-ethyl-N-(2-ethylphenyl)butanamide
CID 112515504
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide (CID 60804807) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide?
The InChIKey is LLIMIJKVHZQDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12(4-2)15(18)17-14-10-6-5-8-13(14)9-7-11-16/h5-6,8,10,12H,3-4,11,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 60804807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).