N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide

C15H20N2O — CID 54967071

IUPACN-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O/c1-2-3-9-15(18)17-12-14-7-4-6-13(11-14)8-5-10-16/h4,6-7,11H,2-3,9-10,12,16H2,1H3,(H,17,18)
InChIKeyODZZGHXTEUIOFB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.80
Rot. Bonds5

About N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide

N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide (PubChem CID 54967071) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide
PubChem CID54967071
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O/c1-2-3-9-15(18)17-12-14-7-4-6-13(11-14)8-5-10-16/h4,6-7,11H,2-3,9-10,12,16H2,1H3,(H,17,18)
InChIKeyODZZGHXTEUIOFB-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.80
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-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(3-cyanophenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 158626969
ethenamine;N-[3-(3-ethylphenyl)prop-2-ynyl]hexadecanamide
CID 168894830
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide
CID 156856938
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]azepane-1-carboxamide
CID 79157692
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 102922464
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62340006
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
3-[3-[(propylsulfamoylamino)methyl]phenyl]prop-2-yn-1-amine
CID 114812153
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide
CID 107940359

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide (CID 54967071) is N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide is CCCCC(=O)NCc1cccc(C#CCN)c1.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide?
The InChIKey is ODZZGHXTEUIOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-9-15(18)17-12-14-7-4-6-13(11-14)8-5-10-16/h4,6-7,11H,2-3,9-10,12,16H2,1H3,(H,17,18).
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide?
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide has a molecular weight of 244.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 54967071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).