N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride

C15H22Cl2N2O — CID 90483718

IUPACN-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
SMILESC=C(C)CN(CC)CCC(=O)Nc1ccccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-4-18(11-12(2)3)10-9-15(19)17-14-8-6-5-7-13(14)16;/h5-8H,2,4,9-11H2,1,3H3,(H,17,19);1H
InChIKeyXAHUGNFQFBJFOM-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.99
Rot. Bonds7

About N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride

N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride (PubChem CID 90483718) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
PubChem CID90483718
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
SMILESC=C(C)CN(CC)CCC(=O)Nc1ccccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-4-18(11-12(2)3)10-9-15(19)17-14-8-6-5-7-13(14)16;/h5-8H,2,4,9-11H2,1,3H3,(H,17,19);1H
InChIKeyXAHUGNFQFBJFOM-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 79664559
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride (CID 90483718) is N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride is C=C(C)CN(CC)CCC(=O)Nc1ccccc1Cl.Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride?
The InChIKey is XAHUGNFQFBJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-4-18(11-12(2)3)10-9-15(19)17-14-8-6-5-7-13(14)16;/h5-8H,2,4,9-11H2,1,3H3,(H,17,19);1H.
What are the key properties of N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride?
N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 90483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).