N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide

C15H20ClNO3 — CID 13343277

IUPACN-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
SMILESC=CCOc1c(Cl)cc(NC(=O)C(C)C)cc1OCC
InChIInChI=1S/C15H20ClNO3/c1-5-7-20-14-12(16)8-11(9-13(14)19-6-2)17-15(18)10(3)4/h5,8-10H,1,6-7H2,2-4H3,(H,17,18)
InChIKeyADGLNCULTNHMHT-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.90
Rot. Bonds7

About N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide

N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide (PubChem CID 13343277) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
PubChem CID13343277
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
SMILESC=CCOc1c(Cl)cc(NC(=O)C(C)C)cc1OCC
InChIInChI=1S/C15H20ClNO3/c1-5-7-20-14-12(16)8-11(9-13(14)19-6-2)17-15(18)10(3)4/h5,8-10H,1,6-7H2,2-4H3,(H,17,18)
InChIKeyADGLNCULTNHMHT-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
N-(3-chloro-4,5-diethoxyphenyl)-2-[(3-chloro-2,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329613
N-(3-chloro-4,5-diethoxyphenyl)-2-[(4-chloro-2,3-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329341
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
4-chlorobut-2-ynyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303978
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 8958163
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385759
3-[(2Z)-2-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 19578704
3-[2-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 40552935
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide (CID 13343277) is N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide is C=CCOc1c(Cl)cc(NC(=O)C(C)C)cc1OCC.
What is the InChIKey of N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide?
The InChIKey is ADGLNCULTNHMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-5-7-20-14-12(16)8-11(9-13(14)19-6-2)17-15(18)10(3)4/h5,8-10H,1,6-7H2,2-4H3,(H,17,18).
What are the key properties of N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide?
N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide has a molecular weight of 297.78 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 13343277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).