(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide

C16H24N2O3 — CID 61260918

IUPAC(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC1COc2ccccc2O1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-18(16(19)15(17)11(2)3)9-12-10-20-13-7-5-6-8-14(13)21-12/h5-8,11-12,15H,4,9-10,17H2,1-3H3/t12?,15-/m0/s1
InChIKeyVOCVUVPKQNZDNY-CVRLYYSRSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds5

About (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide

(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide (PubChem CID 61260918) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide
PubChem CID61260918
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC1COc2ccccc2O1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-18(16(19)15(17)11(2)3)9-12-10-20-13-7-5-6-8-14(13)21-12/h5-8,11-12,15H,4,9-10,17H2,1-3H3/t12?,15-/m0/s1
InChIKeyVOCVUVPKQNZDNY-CVRLYYSRSA-N
XLogP1.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide;hydrochloride
CID 119267933
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
4-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylbutanamide
CID 80542577
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methoxy-2-methylpropanamide
CID 103872991
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide
CID 43167892
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-hydroxybenzamide
CID 112791959
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanamide
CID 61258863
(2S)-2-amino-N-cyclopropyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 96554779
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(2-fluorophenyl)acetamide
CID 78771801
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropanamide
CID 112810885
2-anilino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 119683221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide (CID 61260918) is (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide is CCN(CC1COc2ccccc2O1)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide?
The InChIKey is VOCVUVPKQNZDNY-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(16(19)15(17)11(2)3)9-12-10-20-13-7-5-6-8-14(13)21-12/h5-8,11-12,15H,4,9-10,17H2,1-3H3/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide?
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 61260918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).