3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide

C22H31NO4 — CID 110619191

IUPAC3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
SMILESCN(CCC1CCCCO1)C(=O)CC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C22H31NO4/c1-23(10-9-18-4-2-3-11-25-18)22(24)15-19(16-5-6-16)17-7-8-20-21(14-17)27-13-12-26-20/h7-8,14,16,18-19H,2-6,9-13,15H2,1H3
InChIKeyJVYCTZRPNAXHHS-UHFFFAOYSA-N
MW373.49 g/mol
LogP3.76
Rot. Bonds7

About 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide (PubChem CID 110619191) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
PubChem CID110619191
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
SMILESCN(CCC1CCCCO1)C(=O)CC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C22H31NO4/c1-23(10-9-18-4-2-3-11-25-18)22(24)15-19(16-5-6-16)17-7-8-20-21(14-17)27-13-12-26-20/h7-8,14,16,18-19H,2-6,9-13,15H2,1H3
InChIKeyJVYCTZRPNAXHHS-UHFFFAOYSA-N
XLogP3.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 110297488
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4-(oxolan-2-yl)butanenitrile
CID 65155218
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
CID 110371304
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
CID 99927104

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide (CID 110619191) is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide is CN(CCC1CCCCO1)C(=O)CC(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The InChIKey is JVYCTZRPNAXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-23(10-9-18-4-2-3-11-25-18)22(24)15-19(16-5-6-16)17-7-8-20-21(14-17)27-13-12-26-20/h7-8,14,16,18-19H,2-6,9-13,15H2,1H3.
What are the key properties of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide has a molecular weight of 373.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110619191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).