(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C22H27N3O4 — CID 98785746

IUPAC(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H27N3O4/c26-21(19-8-4-10-25(19)22(27)20-9-5-12-29-20)23-14-18-16-24(11-13-28-18)15-17-6-2-1-3-7-17/h1-3,5-7,9,12,18-19H,4,8,10-11,13-16H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyJRQAZPYBFKUYJC-RTBURBONSA-N
MW397.48 g/mol
LogP1.90
Rot. Bonds6

About (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 98785746) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID98785746
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H27N3O4/c26-21(19-8-4-10-25(19)22(27)20-9-5-12-29-20)23-14-18-16-24(11-13-28-18)15-17-6-2-1-3-7-17/h1-3,5-7,9,12,18-19H,4,8,10-11,13-16H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyJRQAZPYBFKUYJC-RTBURBONSA-N
XLogP1.90
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 98785746) is (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JRQAZPYBFKUYJC-RTBURBONSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(19-8-4-10-25(19)22(27)20-9-5-12-29-20)23-14-18-16-24(11-13-28-18)15-17-6-2-1-3-7-17/h1-3,5-7,9,12,18-19H,4,8,10-11,13-16H2,(H,23,26)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 98785746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).