N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide

C15H20N2O — CID 11436489

IUPACN-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
SMILESCCN(CC)CC#Cc1ccccc1NC(C)=O
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)12-8-10-14-9-6-7-11-15(14)16-13(3)18/h6-7,9,11H,4-5,12H2,1-3H3,(H,16,18)
InChIKeyAZNHRMVEXHNYTG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds4

About N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide

N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide (PubChem CID 11436489) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
PubChem CID11436489
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
SMILESCCN(CC)CC#Cc1ccccc1NC(C)=O
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)12-8-10-14-9-6-7-11-15(14)16-13(3)18/h6-7,9,11H,4-5,12H2,1-3H3,(H,16,18)
InChIKeyAZNHRMVEXHNYTG-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
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

1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone
CID 102350664
N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide
CID 170475269
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide (CID 11436489) is N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide is CCN(CC)CC#Cc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide?
The InChIKey is AZNHRMVEXHNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17(5-2)12-8-10-14-9-6-7-11-15(14)16-13(3)18/h6-7,9,11H,4-5,12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide?
N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 11436489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).