6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide

C17H28N2O — CID 81356680

IUPAC6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C17H28N2O/c1-13-5-7-15(8-6-13)14(2)19-16(20)9-10-17(3,4)11-12-18/h5-8,14H,9-12,18H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyRUTUEVBJIHRSNC-CQSZACIVSA-N
MW276.42 g/mol
LogP3.33
Rot. Bonds7

About 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide

6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide (PubChem CID 81356680) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
PubChem CID81356680
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C17H28N2O/c1-13-5-7-15(8-6-13)14(2)19-16(20)9-10-17(3,4)11-12-18/h5-8,14H,9-12,18H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyRUTUEVBJIHRSNC-CQSZACIVSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
CID 65290863
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
CID 54861871
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide (CID 81356680) is 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide is Cc1ccc([C@@H](C)NC(=O)CCC(C)(C)CCN)cc1.
What is the InChIKey of 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide?
The InChIKey is RUTUEVBJIHRSNC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-5-7-15(8-6-13)14(2)19-16(20)9-10-17(3,4)11-12-18/h5-8,14H,9-12,18H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide?
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide is sourced from PubChem (CID 81356680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).