2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide

C13H16N2O — CID 114777662

IUPAC2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide
SMILESCc1ccc(C)c(C#CCNC(=O)CN)c1
InChIInChI=1S/C13H16N2O/c1-10-5-6-11(2)12(8-10)4-3-7-15-13(16)9-14/h5-6,8H,7,9,14H2,1-2H3,(H,15,16)
InChIKeyTUDUINYPQYDLJM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.73
Rot. Bonds2

About 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide

2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide (PubChem CID 114777662) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide
PubChem CID114777662
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide
SMILESCc1ccc(C)c(C#CCNC(=O)CN)c1
InChIInChI=1S/C13H16N2O/c1-10-5-6-11(2)12(8-10)4-3-7-15-13(16)9-14/h5-6,8H,7,9,14H2,1-2H3,(H,15,16)
InChIKeyTUDUINYPQYDLJM-UHFFFAOYSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.73
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

2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
CID 114777744
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-(3-bromoprop-1-ynyl)-1,4-dimethylbenzene
CID 126971803
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide
CID 114939411
2-amino-N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]acetamide
CID 114777679
3-(3-aminoprop-1-ynyl)-4-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 81459933
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-methylbenzamide
CID 83114640
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
CID 81476301
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide (CID 114777662) is 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide is Cc1ccc(C)c(C#CCNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide?
The InChIKey is TUDUINYPQYDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-6-11(2)12(8-10)4-3-7-15-13(16)9-14/h5-6,8H,7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide?
2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 114777662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).