N-(3-amino-4-methoxyphenyl)but-2-ynamide

C11H12N2O2 — CID 107990049

IUPACN-(3-amino-4-methoxyphenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C11H12N2O2/c1-3-4-11(14)13-8-5-6-10(15-2)9(12)7-8/h5-7H,12H2,1-2H3,(H,13,14)
InChIKeyNYMDSWYNEHYPQD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.24
Rot. Bonds2

About N-(3-amino-4-methoxyphenyl)but-2-ynamide

N-(3-amino-4-methoxyphenyl)but-2-ynamide (PubChem CID 107990049) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)but-2-ynamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)but-2-ynamide
PubChem CID107990049
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(3-amino-4-methoxyphenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C11H12N2O2/c1-3-4-11(14)13-8-5-6-10(15-2)9(12)7-8/h5-7H,12H2,1-2H3,(H,13,14)
InChIKeyNYMDSWYNEHYPQD-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
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N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
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N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
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CID 28866814

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)but-2-ynamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)but-2-ynamide (CID 107990049) is N-(3-amino-4-methoxyphenyl)but-2-ynamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)but-2-ynamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)but-2-ynamide is CC#CC(=O)Nc1ccc(OC)c(N)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)but-2-ynamide?
The InChIKey is NYMDSWYNEHYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-4-11(14)13-8-5-6-10(15-2)9(12)7-8/h5-7H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(3-amino-4-methoxyphenyl)but-2-ynamide?
N-(3-amino-4-methoxyphenyl)but-2-ynamide has a molecular weight of 204.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)but-2-ynamide is sourced from PubChem (CID 107990049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).