6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide

C14H21BrN2O — CID 81359837

IUPAC6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCCN)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyWSDDUCVGLRVGQR-LLVKDONJSA-N
MW313.24 g/mol
LogP3.15
Rot. Bonds7

About 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide

6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide (PubChem CID 81359837) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
PubChem CID81359837
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCCN)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyWSDDUCVGLRVGQR-LLVKDONJSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide (CID 81359837) is 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide is C[C@@H](NC(=O)CCCCCN)c1ccc(Br)cc1.
What is the InChIKey of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide?
The InChIKey is WSDDUCVGLRVGQR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide?
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide has a molecular weight of 313.24 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide is sourced from PubChem (CID 81359837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).