(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide

C15H22N2O3 — CID 61155842

IUPAC(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-9(2)7-11(16)14(18)17-10-5-6-12-13(8-10)20-15(3,4)19-12/h5-6,8-9,11H,7,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyCLXSTHXIGUCELB-NSHDSACASA-N
MW278.35 g/mol
LogP2.51
Rot. Bonds4

About (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide

(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide (PubChem CID 61155842) 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)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
PubChem CID61155842
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-9(2)7-11(16)14(18)17-10-5-6-12-13(8-10)20-15(3,4)19-12/h5-6,8-9,11H,7,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyCLXSTHXIGUCELB-NSHDSACASA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
CID 103950113
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide (CID 61155842) is (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide is CC(C)C[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)-4-methylpentanamide?
The InChIKey is CLXSTHXIGUCELB-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)7-11(16)14(18)17-10-5-6-12-13(8-10)20-15(3,4)19-12/h5-6,8-9,11H,7,16H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide?
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide has a molecular weight of 278.35 g/mol, XLogP of 2.51, 4 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)-4-methylpentanamide is sourced from PubChem (CID 61155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).