6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide

C16H25BrN2O — CID 81358955

IUPAC6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20)/t11?,12?,13-/m0/s1
InChIKeyIVEXHQYVBNCSPA-BPCQOVAHSA-N
MW341.29 g/mol
LogP3.78
Rot. Bonds7

About 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide

6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide (PubChem CID 81358955) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide
PubChem CID81358955
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20)/t11?,12?,13-/m0/s1
InChIKeyIVEXHQYVBNCSPA-BPCQOVAHSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
CID 65292258
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
CID 94033059
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide (CID 81358955) is 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide?
The InChIKey is IVEXHQYVBNCSPA-BPCQOVAHSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20)/t11?,12?,13-/m0/s1.
What are the key properties of 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide?
6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide has a molecular weight of 341.29 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide is sourced from PubChem (CID 81358955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).