2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C15H20ClNO2 — CID 134037927

IUPAC2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-5-17(10-11(2)3)15(18)12(4)19-14-9-7-6-8-13(14)16/h6-9,12H,2,5,10H2,1,3-4H3
InChIKeyCJFZSHNNHMVYAB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 134037927) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID134037927
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-5-17(10-11(2)3)15(18)12(4)19-14-9-7-6-8-13(14)16/h6-9,12H,2,5,10H2,1,3-4H3
InChIKeyCJFZSHNNHMVYAB-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.53
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

2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655313
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
3-[[(2R)-2-(2-chlorophenoxy)propanoyl]-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 124693217
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 134037927) is 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is CJFZSHNNHMVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-5-17(10-11(2)3)15(18)12(4)19-14-9-7-6-8-13(14)16/h6-9,12H,2,5,10H2,1,3-4H3.
What are the key properties of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 281.78 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 134037927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).