N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide

C15H21BrN2O2 — CID 113060337

IUPACN-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(2)10-15(20)17-8-9-18(12(3)19)14-6-4-13(16)5-7-14/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeySTPKQSFIVZWDEB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide

N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide (PubChem CID 113060337) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
PubChem CID113060337
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(2)10-15(20)17-8-9-18(12(3)19)14-6-4-13(16)5-7-14/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeySTPKQSFIVZWDEB-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide (CID 113060337) is N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide?
The InChIKey is STPKQSFIVZWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(2)10-15(20)17-8-9-18(12(3)19)14-6-4-13(16)5-7-14/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide has a molecular weight of 341.25 g/mol, XLogP of 2.96, 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-4-bromoanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113060337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).