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

C16H22N2O — CID 81292452

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C#CCN)cc1CC
InChIInChI=1S/C16H22N2O/c1-3-5-8-16(19)18-15-10-9-13(7-6-11-17)12-14(15)4-2/h9-10,12H,3-5,8,11,17H2,1-2H3,(H,18,19)
InChIKeySCYFYLPKWMQJJB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds5

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

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide (PubChem CID 81292452) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
PubChem CID81292452
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C#CCN)cc1CC
InChIInChI=1S/C16H22N2O/c1-3-5-8-16(19)18-15-10-9-13(7-6-11-17)12-14(15)4-2/h9-10,12H,3-5,8,11,17H2,1-2H3,(H,18,19)
InChIKeySCYFYLPKWMQJJB-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
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-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
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-pyridinyl]octanamide
CID 102821254
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-5-bromothiophene-3-carboxamide
CID 107964055

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide (CID 81292452) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide is CCCCC(=O)Nc1ccc(C#CCN)cc1CC.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide?
The InChIKey is SCYFYLPKWMQJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-5-8-16(19)18-15-10-9-13(7-6-11-17)12-14(15)4-2/h9-10,12H,3-5,8,11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide has a molecular weight of 258.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide is sourced from PubChem (CID 81292452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).