N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide

C16H23ClN2O2 — CID 113059716

IUPACN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O2/c1-11-13(17)7-6-8-14(11)19(12(2)20)10-9-18-15(21)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyHZCIWKOSIKNVLI-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113059716) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113059716
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O2/c1-11-13(17)7-6-8-14(11)19(12(2)20)10-9-18-15(21)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyHZCIWKOSIKNVLI-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
methyl 3-[acetyl-[2-(2,2-dimethylpropanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062092
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,2-dimethylpropanamide
CID 113054741
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide (CID 113059716) is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide is CC(=O)N(CCNC(=O)C(C)(C)C)c1cccc(Cl)c1C.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is HZCIWKOSIKNVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-13(17)7-6-8-14(11)19(12(2)20)10-9-18-15(21)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 310.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113059716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).