N-(4-amino-3-methoxyphenyl)but-3-enamide

C11H14N2O2 — CID 62677990

IUPACN-(4-amino-3-methoxyphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C11H14N2O2/c1-3-4-11(14)13-8-5-6-9(12)10(7-8)15-2/h3,5-7H,1,4,12H2,2H3,(H,13,14)
InChIKeyVHXBIYHRPNDSGW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)but-3-enamide

N-(4-amino-3-methoxyphenyl)but-3-enamide (PubChem CID 62677990) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)but-3-enamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)but-3-enamide
PubChem CID62677990
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-(4-amino-3-methoxyphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C11H14N2O2/c1-3-4-11(14)13-8-5-6-9(12)10(7-8)15-2/h3,5-7H,1,4,12H2,2H3,(H,13,14)
InChIKeyVHXBIYHRPNDSGW-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103805332
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
N-(4-amino-3-methoxyphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 61239465
2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
CID 89028387
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)but-3-enamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)but-3-enamide (CID 62677990) is N-(4-amino-3-methoxyphenyl)but-3-enamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)but-3-enamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)but-3-enamide is C=CCC(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)but-3-enamide?
The InChIKey is VHXBIYHRPNDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-4-11(14)13-8-5-6-9(12)10(7-8)15-2/h3,5-7H,1,4,12H2,2H3,(H,13,14).
What are the key properties of N-(4-amino-3-methoxyphenyl)but-3-enamide?
N-(4-amino-3-methoxyphenyl)but-3-enamide has a molecular weight of 206.24 g/mol, XLogP of 1.79, 4 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)but-3-enamide is sourced from PubChem (CID 62677990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).