4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide

C13H17NO2 — CID 132533977

IUPAC4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(OC)ccc1C(=O)N(C)C
InChIInChI=1S/C13H17NO2/c1-5-6-10-9-11(16-4)7-8-12(10)13(15)14(2)3/h5-9H,1-4H3/b6-5+
InChIKeyVGTSHLSQDNHIHZ-AATRIKPKSA-N
MW219.28 g/mol
LogP2.43
Rot. Bonds3

About 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide

4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide (PubChem CID 132533977) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide
PubChem CID132533977
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(OC)ccc1C(=O)N(C)C
InChIInChI=1S/C13H17NO2/c1-5-6-10-9-11(16-4)7-8-12(10)13(15)14(2)3/h5-9H,1-4H3/b6-5+
InChIKeyVGTSHLSQDNHIHZ-AATRIKPKSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
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5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 67994643
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
S-(2-formyl-4-methoxyphenyl) N,N-dimethylcarbamothioate
CID 121223557
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide
CID 71038909
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide (CID 132533977) is 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide is C/C=C/c1cc(OC)ccc1C(=O)N(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide?
The InChIKey is VGTSHLSQDNHIHZ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-6-10-9-11(16-4)7-8-12(10)13(15)14(2)3/h5-9H,1-4H3/b6-5+.
What are the key properties of 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide?
4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 132533977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).