2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

C19H28N2O3 — CID 42958000

IUPAC2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESCC(C)C(C)N(CC(=O)NCC1COc2ccccc2O1)C1CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)14(3)21(15-8-9-15)11-19(22)20-10-16-12-23-17-6-4-5-7-18(17)24-16/h4-7,13-16H,8-12H2,1-3H3,(H,20,22)
InChIKeyOIRWUYQKAUGKJI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.45
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (PubChem CID 42958000) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
PubChem CID42958000
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESCC(C)C(C)N(CC(=O)NCC1COc2ccccc2O1)C1CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)14(3)21(15-8-9-15)11-19(22)20-10-16-12-23-17-6-4-5-7-18(17)24-16/h4-7,13-16H,8-12H2,1-3H3,(H,20,22)
InChIKeyOIRWUYQKAUGKJI-UHFFFAOYSA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 60502808
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61248970
5-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpentanamide
CID 82012034
2-(4-chloro-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125075099
(2S)-2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 51979757
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 61249529
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitroacetamide
CID 108814523
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (CID 42958000) is 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is CC(C)C(C)N(CC(=O)NCC1COc2ccccc2O1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The InChIKey is OIRWUYQKAUGKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)14(3)21(15-8-9-15)11-19(22)20-10-16-12-23-17-6-4-5-7-18(17)24-16/h4-7,13-16H,8-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutan-2-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is sourced from PubChem (CID 42958000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).