N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide

C14H18N2O — CID 62309945

IUPACN-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
SMILESCC#CCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O/c1-4-5-9-15-11(2)13-7-6-8-14(10-13)16-12(3)17/h6-8,10-11,15H,9H2,1-3H3,(H,16,17)
InChIKeyXDMIVFVEDOKYMO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.32
Rot. Bonds4

About N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide

N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide (PubChem CID 62309945) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
PubChem CID62309945
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
SMILESCC#CCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O/c1-4-5-9-15-11(2)13-7-6-8-14(10-13)16-12(3)17/h6-8,10-11,15H,9H2,1-3H3,(H,16,17)
InChIKeyXDMIVFVEDOKYMO-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.32
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-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
CID 82710844
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103240394
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide (CID 62309945) is N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide is CC#CCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide?
The InChIKey is XDMIVFVEDOKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-9-15-11(2)13-7-6-8-14(10-13)16-12(3)17/h6-8,10-11,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide?
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 62309945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).