N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide

C15H19N3O2 — CID 79286921

IUPACN,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-9-16-11-14(19)17-13-7-5-12(6-8-13)10-15(20)18(2)3/h1,5-8,16H,9-11H2,2-3H3,(H,17,19)
InChIKeyPHKWXEMDBDVOHK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.48
Rot. Bonds6

About N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide

N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide (PubChem CID 79286921) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
PubChem CID79286921
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-9-16-11-14(19)17-13-7-5-12(6-8-13)10-15(20)18(2)3/h1,5-8,16H,9-11H2,2-3H3,(H,17,19)
InChIKeyPHKWXEMDBDVOHK-UHFFFAOYSA-N
XLogP0.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
2-methyl-N-[4-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]phenyl]propanamide
CID 78915789
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide (CID 79286921) is N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide is C#CCNCC(=O)Nc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide?
The InChIKey is PHKWXEMDBDVOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-9-16-11-14(19)17-13-7-5-12(6-8-13)10-15(20)18(2)3/h1,5-8,16H,9-11H2,2-3H3,(H,17,19).
What are the key properties of N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide?
N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 79286921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).