3,4-dibenzylmorpholine-3-carboxamide

C19H22N2O2 — CID 143803891

IUPAC3,4-dibenzylmorpholine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2)COCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18(22)19(13-16-7-3-1-4-8-16)15-23-12-11-21(19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H2,20,22)
InChIKeyBWXQWAQQVSDNBV-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.99
Rot. Bonds5

About 3,4-dibenzylmorpholine-3-carboxamide

3,4-dibenzylmorpholine-3-carboxamide (PubChem CID 143803891) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dibenzylmorpholine-3-carboxamide.

Molecular Properties

Compound Name3,4-dibenzylmorpholine-3-carboxamide
PubChem CID143803891
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3,4-dibenzylmorpholine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2)COCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18(22)19(13-16-7-3-1-4-8-16)15-23-12-11-21(19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H2,20,22)
InChIKeyBWXQWAQQVSDNBV-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibenzylpiperazine-2-carboxylic acid
CID 174963480
N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide
CID 146094357
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
CID 70380943
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341
3-benzyloxolan-3-ol
CID 63332039
6-benzyl-1-oxa-6-azaspiro[2.3]hexane
CID 56995453

Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzylmorpholine-3-carboxamide?
The IUPAC name of 3,4-dibenzylmorpholine-3-carboxamide (CID 143803891) is 3,4-dibenzylmorpholine-3-carboxamide.
What is the SMILES notation for 3,4-dibenzylmorpholine-3-carboxamide?
The canonical SMILES for 3,4-dibenzylmorpholine-3-carboxamide is NC(=O)C1(Cc2ccccc2)COCCN1Cc1ccccc1.
What is the InChIKey of 3,4-dibenzylmorpholine-3-carboxamide?
The InChIKey is BWXQWAQQVSDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-18(22)19(13-16-7-3-1-4-8-16)15-23-12-11-21(19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H2,20,22).
What are the key properties of 3,4-dibenzylmorpholine-3-carboxamide?
3,4-dibenzylmorpholine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzylmorpholine-3-carboxamide is sourced from PubChem (CID 143803891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).