6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide

C15H23ClN2O — CID 81371649

IUPAC6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(8-9-17)6-7-15(19)18-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19)/t11?,12-/m1/s1
InChIKeyYCHBNRXZOYCUPP-PIJUOVFKSA-N
MW282.81 g/mol
LogP3.28
Rot. Bonds7

About 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide

6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide (PubChem CID 81371649) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
PubChem CID81371649
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(8-9-17)6-7-15(19)18-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19)/t11?,12-/m1/s1
InChIKeyYCHBNRXZOYCUPP-PIJUOVFKSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide?
The IUPAC name of 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide (CID 81371649) is 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide is CC(CCN)CCC(=O)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide?
The InChIKey is YCHBNRXZOYCUPP-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(8-9-17)6-7-15(19)18-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide?
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide has a molecular weight of 282.81 g/mol, XLogP of 3.28, 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-(3-chlorophenyl)ethyl]-4-methylhexanamide is sourced from PubChem (CID 81371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).