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

C10H10N2O2 — CID 61241972

IUPACN-(4-amino-3-methoxyphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H10N2O2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h1,4-6H,11H2,2H3,(H,12,13)
InChIKeyNABQPFVZSPNVMP-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.85
Rot. Bonds2

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

N-(4-amino-3-methoxyphenyl)prop-2-ynamide (PubChem CID 61241972) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)prop-2-ynamide
PubChem CID61241972
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-(4-amino-3-methoxyphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H10N2O2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h1,4-6H,11H2,2H3,(H,12,13)
InChIKeyNABQPFVZSPNVMP-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.85
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

3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
N-(4-amino-3-methoxyphenyl)but-3-enamide
CID 62677990
2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
CID 89028387
N-(3-amino-4-methoxyphenyl)but-2-ynamide
CID 107990049
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)prop-2-ynamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)prop-2-ynamide (CID 61241972) is N-(4-amino-3-methoxyphenyl)prop-2-ynamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)prop-2-ynamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)prop-2-ynamide is C#CC(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)prop-2-ynamide?
The InChIKey is NABQPFVZSPNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h1,4-6H,11H2,2H3,(H,12,13).
What are the key properties of N-(4-amino-3-methoxyphenyl)prop-2-ynamide?
N-(4-amino-3-methoxyphenyl)prop-2-ynamide has a molecular weight of 190.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 61241972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).