(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide

C25H32N2O4 — CID 92581970

IUPAC(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESC[C@H](CN1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H32N2O4/c1-19(18-27-11-13-29-14-12-27)25(28)26-22(9-7-20-5-3-2-4-6-20)21-8-10-23-24(17-21)31-16-15-30-23/h2-6,8,10,17,19,22H,7,9,11-16,18H2,1H3,(H,26,28)/t19-,22+/m1/s1
InChIKeySVCOQXYWYFMBTM-KNQAVFIVSA-N
MW424.54 g/mol
LogP3.22
Rot. Bonds8

About (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide

(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide (PubChem CID 92581970) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide
PubChem CID92581970
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESC[C@H](CN1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H32N2O4/c1-19(18-27-11-13-29-14-12-27)25(28)26-22(9-7-20-5-3-2-4-6-20)21-8-10-23-24(17-21)31-16-15-30-23/h2-6,8,10,17,19,22H,7,9,11-16,18H2,1H3,(H,26,28)/t19-,22+/m1/s1
InChIKeySVCOQXYWYFMBTM-KNQAVFIVSA-N
XLogP3.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(4-chloropyrazol-1-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methylpropanamide
CID 92582222
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropyl]-2-phenylacetamide
CID 56728627
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropyl]-5-ethylthiophene-2-carboxamide
CID 56728618
(1R,2R,4R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 51590172
(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
CID 100685852
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxyethyl]-2-methylpropanamide
CID 18340878
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(2-phenylethyl)urea
CID 25262258
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide (CID 92581970) is (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide is C[C@H](CN1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is SVCOQXYWYFMBTM-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19(18-27-11-13-29-14-12-27)25(28)26-22(9-7-20-5-3-2-4-6-20)21-8-10-23-24(17-21)31-16-15-30-23/h2-6,8,10,17,19,22H,7,9,11-16,18H2,1H3,(H,26,28)/t19-,22+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide?
(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 424.54 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 92581970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).