4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide

C16H21NO3 — CID 17353510

IUPAC4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C16H21NO3/c1-4-10-17(11-5-2)16(18)14-6-8-15(9-7-14)20-13-12-19-3/h4-9H,1-2,10-13H2,3H3
InChIKeyVXHNWYKAIRWDBR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.53
Rot. Bonds9

About 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide

4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 17353510) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
PubChem CID17353510
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C16H21NO3/c1-4-10-17(11-5-2)16(18)14-6-8-15(9-7-14)20-13-12-19-3/h4-9H,1-2,10-13H2,3H3
InChIKeyVXHNWYKAIRWDBR-UHFFFAOYSA-N
XLogP2.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
CID 78784427
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
CID 102603422
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide (CID 17353510) is 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is VXHNWYKAIRWDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-10-17(11-5-2)16(18)14-6-8-15(9-7-14)20-13-12-19-3/h4-9H,1-2,10-13H2,3H3.
What are the key properties of 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide?
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 17353510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).