N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide

C12H15NO3 — CID 54257265

IUPACN-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)OC)cc1
InChIInChI=1S/C12H15NO3/c1-13(16-3)12(14)9-6-10-4-7-11(15-2)8-5-10/h4-9H,1-3H3
InChIKeyRAYSPHJSCYDDPW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.73
Rot. Bonds4

About N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide

N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 54257265) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID54257265
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)OC)cc1
InChIInChI=1S/C12H15NO3/c1-13(16-3)12(14)9-6-10-4-7-11(15-2)8-5-10/h4-9H,1-3H3
InChIKeyRAYSPHJSCYDDPW-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
trifluoro-[4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]phenyl]boranuide
CID 11850048
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
CID 59090938
CID 59090938
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 54257265) is N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide is COc1ccc(C=CC(=O)N(C)OC)cc1.
What is the InChIKey of N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is RAYSPHJSCYDDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13(16-3)12(14)9-6-10-4-7-11(15-2)8-5-10/h4-9H,1-3H3.
What are the key properties of N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 54257265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).