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

C17H24N2O — CID 82987618

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C17H24N2O/c1-3-8-15(9-4-2)17(20)19-16-12-6-5-10-14(16)11-7-13-18/h5-6,10,12,15H,3-4,8-9,13,18H2,1-2H3,(H,19,20)
InChIKeyNHHLDBRCCVKXPE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds6

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

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide (PubChem CID 82987618) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
PubChem CID82987618
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C17H24N2O/c1-3-8-15(9-4-2)17(20)19-16-12-6-5-10-14(16)11-7-13-18/h5-6,10,12,15H,3-4,8-9,13,18H2,1-2H3,(H,19,20)
InChIKeyNHHLDBRCCVKXPE-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
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-ethylbutanamide
CID 60804807
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
CID 82988192
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
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-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide (CID 82987618) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide?
The InChIKey is NHHLDBRCCVKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-8-15(9-4-2)17(20)19-16-12-6-5-10-14(16)11-7-13-18/h5-6,10,12,15H,3-4,8-9,13,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide has a molecular weight of 272.39 g/mol, XLogP of 3.15, 6 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-propylpentanamide is sourced from PubChem (CID 82987618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).