5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide

C14H21BrN2O — CID 82687831

IUPAC5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
SMILESCCc1cc(Br)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21BrN2O/c1-3-11-8-12(15)5-6-13(11)17-14(18)7-4-10(2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyMXHCHVFZOBVRCC-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.33
Rot. Bonds6

About 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide

5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide (PubChem CID 82687831) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
PubChem CID82687831
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
SMILESCCc1cc(Br)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21BrN2O/c1-3-11-8-12(15)5-6-13(11)17-14(18)7-4-10(2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyMXHCHVFZOBVRCC-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
CID 82688311
2-[(5-amino-4-methylpentanoyl)amino]-4-bromobenzoic acid
CID 82012029
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
4-(4-bromo-2-ethylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81287078

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide (CID 82687831) is 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide is CCc1cc(Br)ccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide?
The InChIKey is MXHCHVFZOBVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-11-8-12(15)5-6-13(11)17-14(18)7-4-10(2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide?
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide has a molecular weight of 313.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82687831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).