(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide

C15H22N2O3 — CID 103950113

IUPAC(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-4-5-6-11(16)14(18)17-10-7-8-12-13(9-10)20-15(2,3)19-12/h7-9,11H,4-6,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyNUOKHRNIYHLIBU-NSHDSACASA-N
MW278.35 g/mol
LogP2.65
Rot. Bonds5

About (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide

(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide (PubChem CID 103950113) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
PubChem CID103950113
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-4-5-6-11(16)14(18)17-10-7-8-12-13(9-10)20-15(2,3)19-12/h7-9,11H,4-6,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyNUOKHRNIYHLIBU-NSHDSACASA-N
XLogP2.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
CID 61155842
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 107145713
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 64782247
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide (CID 103950113) is (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide?
The InChIKey is NUOKHRNIYHLIBU-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-6-11(16)14(18)17-10-7-8-12-13(9-10)20-15(2,3)19-12/h7-9,11H,4-6,16H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide?
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide has a molecular weight of 278.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide is sourced from PubChem (CID 103950113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).