N-ethyl-4-methoxy-N-prop-2-enylbenzamide

C13H17NO2 — CID 84558976

IUPACN-ethyl-4-methoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-10-14(5-2)13(15)11-6-8-12(16-3)9-7-11/h4,6-9H,1,5,10H2,2-3H3
InChIKeyLFQMDHJPQYKFAP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-4-methoxy-N-prop-2-enylbenzamide

N-ethyl-4-methoxy-N-prop-2-enylbenzamide (PubChem CID 84558976) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-prop-2-enylbenzamide
PubChem CID84558976
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-4-methoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-10-14(5-2)13(15)11-6-8-12(16-3)9-7-11/h4,6-9H,1,5,10H2,2-3H3
InChIKeyLFQMDHJPQYKFAP-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
N,N-dibutyl-4-methoxybenzamide
CID 2163395
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-ethyl-4-methoxy-N-prop-2-enylbenzamide (CID 84558976) is N-ethyl-4-methoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-ethyl-4-methoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-ethyl-4-methoxy-N-prop-2-enylbenzamide is C=CCN(CC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxy-N-prop-2-enylbenzamide?
The InChIKey is LFQMDHJPQYKFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-10-14(5-2)13(15)11-6-8-12(16-3)9-7-11/h4,6-9H,1,5,10H2,2-3H3.
What are the key properties of N-ethyl-4-methoxy-N-prop-2-enylbenzamide?
N-ethyl-4-methoxy-N-prop-2-enylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 84558976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).