N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide

C20H31N3O4 — CID 46562317

IUPACN-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide
SMILESCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1COc2ccccc2O1
InChIInChI=1S/C20H31N3O4/c1-6-23(11-15-14-26-16-9-7-8-10-17(16)27-15)13-19(25)22(5)12-18(24)21-20(2,3)4/h7-10,15H,6,11-14H2,1-5H3,(H,21,24)
InChIKeyYWCDVKLQVPABTH-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.52
Rot. Bonds7

About N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide (PubChem CID 46562317) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide
PubChem CID46562317
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide
SMILESCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1COc2ccccc2O1
InChIInChI=1S/C20H31N3O4/c1-6-23(11-15-14-26-16-9-7-8-10-17(16)27-15)13-19(25)22(5)12-18(24)21-20(2,3)4/h7-10,15H,6,11-14H2,1-5H3,(H,21,24)
InChIKeyYWCDVKLQVPABTH-UHFFFAOYSA-N
XLogP1.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(tert-butylcarbamoyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]acetamide
CID 41089059
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-N-(2-methylphenyl)acetamide
CID 78787865
N-benzhydryl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]acetamide
CID 8853044
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,2-trimethylpropanamide
CID 81489682
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 64679217
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide
CID 42927097
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 94081997
2-anilino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 119683221
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide
CID 46562227
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide (CID 46562317) is N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide is CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1COc2ccccc2O1.
What is the InChIKey of N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide?
The InChIKey is YWCDVKLQVPABTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-6-23(11-15-14-26-16-9-7-8-10-17(16)27-15)13-19(25)22(5)12-18(24)21-20(2,3)4/h7-10,15H,6,11-14H2,1-5H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 46562317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).