N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

C15H21ClN2O — CID 86976734

IUPACN-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O/c1-5-18(9-11(2)3)10-15(19)17-14-7-6-13(16)8-12(14)4/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19)
InChIKeyAVAOLYSFUUMZEJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (PubChem CID 86976734) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
PubChem CID86976734
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O/c1-5-18(9-11(2)3)10-15(19)17-14-7-6-13(16)8-12(14)4/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19)
InChIKeyAVAOLYSFUUMZEJ-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.48
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

N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86913389
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 78787772
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107440209
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (CID 86976734) is N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is C=C(C)CN(CC)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The InChIKey is AVAOLYSFUUMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-5-18(9-11(2)3)10-15(19)17-14-7-6-13(16)8-12(14)4/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is sourced from PubChem (CID 86976734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).