2-(4-methoxy-N-methylanilino)prop-2-enamide

C11H14N2O2 — CID 175949684

IUPAC2-(4-methoxy-N-methylanilino)prop-2-enamide
SMILESC=C(C(N)=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C11H14N2O2/c1-8(11(12)14)13(2)9-4-6-10(15-3)7-5-9/h4-7H,1H2,2-3H3,(H2,12,14)
InChIKeyPHQWOZGFDAWFBO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-methoxy-N-methylanilino)prop-2-enamide

2-(4-methoxy-N-methylanilino)prop-2-enamide (PubChem CID 175949684) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylanilino)prop-2-enamide
PubChem CID175949684
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(4-methoxy-N-methylanilino)prop-2-enamide
SMILESC=C(C(N)=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C11H14N2O2/c1-8(11(12)14)13(2)9-4-6-10(15-3)7-5-9/h4-7H,1H2,2-3H3,(H2,12,14)
InChIKeyPHQWOZGFDAWFBO-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
CID 62482698
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 82546856
2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
CID 114291390
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 102127116

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylanilino)prop-2-enamide?
The IUPAC name of 2-(4-methoxy-N-methylanilino)prop-2-enamide (CID 175949684) is 2-(4-methoxy-N-methylanilino)prop-2-enamide.
What is the SMILES notation for 2-(4-methoxy-N-methylanilino)prop-2-enamide?
The canonical SMILES for 2-(4-methoxy-N-methylanilino)prop-2-enamide is C=C(C(N)=O)N(C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylanilino)prop-2-enamide?
The InChIKey is PHQWOZGFDAWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(11(12)14)13(2)9-4-6-10(15-3)7-5-9/h4-7H,1H2,2-3H3,(H2,12,14).
What are the key properties of 2-(4-methoxy-N-methylanilino)prop-2-enamide?
2-(4-methoxy-N-methylanilino)prop-2-enamide has a molecular weight of 206.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylanilino)prop-2-enamide is sourced from PubChem (CID 175949684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).