6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide

C15H23BrN2O — CID 107625137

IUPAC6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
SMILESCc1c(Br)cccc1NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H23BrN2O/c1-10(6-4-7-11(2)17)15(19)18-14-9-5-8-13(16)12(14)3/h5,8-11H,4,6-7,17H2,1-3H3,(H,18,19)
InChIKeyFEEAQYFZNFVMOE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.85
Rot. Bonds6

About 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide

6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide (PubChem CID 107625137) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
PubChem CID107625137
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
SMILESCc1c(Br)cccc1NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H23BrN2O/c1-10(6-4-7-11(2)17)15(19)18-14-9-5-8-13(16)12(14)3/h5,8-11H,4,6-7,17H2,1-3H3,(H,18,19)
InChIKeyFEEAQYFZNFVMOE-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
CID 65290319
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-N-(1H-indazol-4-yl)-2-methylheptanamide
CID 65290576
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
2-[(6-amino-2-methylheptanoyl)amino]-5-methylbenzoic acid
CID 65292299

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide (CID 107625137) is 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide is Cc1c(Br)cccc1NC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide?
The InChIKey is FEEAQYFZNFVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(6-4-7-11(2)17)15(19)18-14-9-5-8-13(16)12(14)3/h5,8-11H,4,6-7,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide?
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide has a molecular weight of 327.27 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide is sourced from PubChem (CID 107625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).