N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide

C24H30N2O4 — CID 42793391

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide
SMILESCC(C)(C(=O)N(CCN1CCOCC1)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-24(2,20-8-4-3-5-9-20)23(27)26(12-11-25-13-15-28-16-14-25)17-19-7-6-10-21-22(19)30-18-29-21/h3-10H,11-18H2,1-2H3
InChIKeyKXUVWUZCOGILHB-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.05
Rot. Bonds7

About N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide

N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide (PubChem CID 42793391) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide
PubChem CID42793391
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide
SMILESCC(C)(C(=O)N(CCN1CCOCC1)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-24(2,20-8-4-3-5-9-20)23(27)26(12-11-25-13-15-28-16-14-25)17-19-7-6-10-21-22(19)30-18-29-21/h3-10H,11-18H2,1-2H3
InChIKeyKXUVWUZCOGILHB-UHFFFAOYSA-N
XLogP3.05
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42706400
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 110849296
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52528755
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 5086128
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-(1,3-benzodioxol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110853146
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide (CID 42793391) is N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide is CC(C)(C(=O)N(CCN1CCOCC1)Cc1cccc2c1OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide?
The InChIKey is KXUVWUZCOGILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,20-8-4-3-5-9-20)23(27)26(12-11-25-13-15-28-16-14-25)17-19-7-6-10-21-22(19)30-18-29-21/h3-10H,11-18H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide?
N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide has a molecular weight of 410.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide is sourced from PubChem (CID 42793391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).