4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide

C28H30N2O4 — CID 42793697

IUPAC4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
SMILESCc1ccccc1N(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C28H30N2O4/c1-21-7-5-6-10-24(21)30(19-23-11-12-25-26(17-23)34-16-15-33-25)28(31)27-20-29(13-14-32-27)18-22-8-3-2-4-9-22/h2-12,17,27H,13-16,18-20H2,1H3
InChIKeyKHEQALULTQIYML-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.20
Rot. Bonds6

About 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide

4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide (PubChem CID 42793697) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
PubChem CID42793697
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
SMILESCc1ccccc1N(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C28H30N2O4/c1-21-7-5-6-10-24(21)30(19-23-11-12-25-26(17-23)34-16-15-33-25)28(31)27-20-29(13-14-32-27)18-22-8-3-2-4-9-22/h2-12,17,27H,13-16,18-20H2,1H3
InChIKeyKHEQALULTQIYML-UHFFFAOYSA-N
XLogP4.20
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755166
4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432188
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 57432145
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 57432179
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide
CID 42793624

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide (CID 42793697) is 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide is Cc1ccccc1N(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The InChIKey is KHEQALULTQIYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-21-7-5-6-10-24(21)30(19-23-11-12-25-26(17-23)34-16-15-33-25)28(31)27-20-29(13-14-32-27)18-22-8-3-2-4-9-22/h2-12,17,27H,13-16,18-20H2,1H3.
What are the key properties of 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide?
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 42793697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).