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

C27H34N2O4 — CID 16755166

IUPAC4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
SMILESO=C(C1CN(Cc2ccccc2)CCO1)N(Cc1ccc2c(c1)OCCO2)CC1CCCC1
InChIInChI=1S/C27H34N2O4/c30-27(26-20-28(12-13-31-26)17-21-6-2-1-3-7-21)29(18-22-8-4-5-9-22)19-23-10-11-24-25(16-23)33-15-14-32-24/h1-3,6-7,10-11,16,22,26H,4-5,8-9,12-15,17-20H2
InChIKeyKEMTUTYMBQRJQA-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.88
Rot. Bonds7

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

4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide (PubChem CID 16755166) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
PubChem CID16755166
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
SMILESO=C(C1CN(Cc2ccccc2)CCO1)N(Cc1ccc2c(c1)OCCO2)CC1CCCC1
InChIInChI=1S/C27H34N2O4/c30-27(26-20-28(12-13-31-26)17-21-6-2-1-3-7-21)29(18-22-8-4-5-9-22)19-23-10-11-24-25(16-23)33-15-14-32-24/h1-3,6-7,10-11,16,22,26H,4-5,8-9,12-15,17-20H2
InChIKeyKEMTUTYMBQRJQA-UHFFFAOYSA-N
XLogP3.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 42793697
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
4-benzyl-N-(3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 58080482
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 57432145
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-(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
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 57432260
(3R)-1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 66726449
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(1-methylindol-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432226
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1H-indol-3-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432163

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide (CID 16755166) is 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide is O=C(C1CN(Cc2ccccc2)CCO1)N(Cc1ccc2c(c1)OCCO2)CC1CCCC1.
What is the InChIKey of 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide?
The InChIKey is KEMTUTYMBQRJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c30-27(26-20-28(12-13-31-26)17-21-6-2-1-3-7-21)29(18-22-8-4-5-9-22)19-23-10-11-24-25(16-23)33-15-14-32-24/h1-3,6-7,10-11,16,22,26H,4-5,8-9,12-15,17-20H2.
What are the key properties of 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide?
4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 16755166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).