N,N-diethyl-2-(3-ethynylanilino)acetamide

C14H18N2O — CID 28564060

IUPACN,N-diethyl-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)N(CC)CC)c1
InChIInChI=1S/C14H18N2O/c1-4-12-8-7-9-13(10-12)15-11-14(17)16(5-2)6-3/h1,7-10,15H,5-6,11H2,2-3H3
InChIKeyUIBZDYRDOGFYTQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds5

About N,N-diethyl-2-(3-ethynylanilino)acetamide

N,N-diethyl-2-(3-ethynylanilino)acetamide (PubChem CID 28564060) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethynylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethynylanilino)acetamide
PubChem CID28564060
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN,N-diethyl-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)N(CC)CC)c1
InChIInChI=1S/C14H18N2O/c1-4-12-8-7-9-13(10-12)15-11-14(17)16(5-2)6-3/h1,7-10,15H,5-6,11H2,2-3H3
InChIKeyUIBZDYRDOGFYTQ-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
N-(2-chloroprop-2-enyl)-3-ethynylaniline
CID 60873385
3-(3-ethynylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643569
N-[2-(3-ethynylanilino)ethyl]acetamide
CID 107529030
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47170584
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethynylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(3-ethynylanilino)acetamide (CID 28564060) is N,N-diethyl-2-(3-ethynylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-ethynylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-ethynylanilino)acetamide is C#Cc1cccc(NCC(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-2-(3-ethynylanilino)acetamide?
The InChIKey is UIBZDYRDOGFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12-8-7-9-13(10-12)15-11-14(17)16(5-2)6-3/h1,7-10,15H,5-6,11H2,2-3H3.
What are the key properties of N,N-diethyl-2-(3-ethynylanilino)acetamide?
N,N-diethyl-2-(3-ethynylanilino)acetamide has a molecular weight of 230.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-ethynylanilino)acetamide is sourced from PubChem (CID 28564060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).