N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide

C16H23ClN2O2 — CID 113059799

IUPACN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C16H23ClN2O2/c1-11(2)9-16(21)18-7-8-19(13(4)20)15-10-14(17)6-5-12(15)3/h5-6,10-11H,7-9H2,1-4H3,(H,18,21)
InChIKeyIEFCSKFELGSAQE-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide (PubChem CID 113059799) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
PubChem CID113059799
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C16H23ClN2O2/c1-11(2)9-16(21)18-7-8-19(13(4)20)15-10-14(17)6-5-12(15)3/h5-6,10-11H,7-9H2,1-4H3,(H,18,21)
InChIKeyIEFCSKFELGSAQE-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
CID 113171855

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide (CID 113059799) is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide?
The InChIKey is IEFCSKFELGSAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)9-16(21)18-7-8-19(13(4)20)15-10-14(17)6-5-12(15)3/h5-6,10-11H,7-9H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide has a molecular weight of 310.83 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113059799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).