N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide

C17H22N2O — CID 103165283

IUPACN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
SMILESCC(NC(=O)CC1CCC1)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H22N2O/c1-13(19-17(20)12-15-4-2-5-15)16-9-7-14(8-10-16)6-3-11-18/h7-10,13,15H,2,4-5,11-12,18H2,1H3,(H,19,20)
InChIKeyKYORVNIVSDWXMY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.36
Rot. Bonds4

About N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide

N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide (PubChem CID 103165283) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
PubChem CID103165283
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
SMILESCC(NC(=O)CC1CCC1)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H22N2O/c1-13(19-17(20)12-15-4-2-5-15)16-9-7-14(8-10-16)6-3-11-18/h7-10,13,15H,2,4-5,11-12,18H2,1H3,(H,19,20)
InChIKeyKYORVNIVSDWXMY-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.36
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-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide
CID 62715999
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide?
The IUPAC name of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide (CID 103165283) is N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide is CC(NC(=O)CC1CCC1)c1ccc(C#CCN)cc1.
What is the InChIKey of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide?
The InChIKey is KYORVNIVSDWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(19-17(20)12-15-4-2-5-15)16-9-7-14(8-10-16)6-3-11-18/h7-10,13,15H,2,4-5,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide?
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide has a molecular weight of 270.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide is sourced from PubChem (CID 103165283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).