3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

C19H28N2O4 — CID 30538476

IUPAC3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H28N2O4/c1-14(2)11-21-7-8-23-16(12-21)10-20-19(22)6-4-15-3-5-17-18(9-15)25-13-24-17/h3,5,9,14,16H,4,6-8,10-13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyNDVOJIQXZWPMTB-MRXNPFEDSA-N
MW348.44 g/mol
LogP1.82
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (PubChem CID 30538476) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
PubChem CID30538476
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H28N2O4/c1-14(2)11-21-7-8-23-16(12-21)10-20-19(22)6-4-15-3-5-17-18(9-15)25-13-24-17/h3,5,9,14,16H,4,6-8,10-13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyNDVOJIQXZWPMTB-MRXNPFEDSA-N
XLogP1.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111369038
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55648984
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55682446
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 30538790

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (CID 30538476) is 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is CC(C)CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is NDVOJIQXZWPMTB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)11-21-7-8-23-16(12-21)10-20-19(22)6-4-15-3-5-17-18(9-15)25-13-24-17/h3,5,9,14,16H,4,6-8,10-13H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 348.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 30538476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).