(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

C21H24N2O3 — CID 124866660

IUPAC(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H24N2O3/c1-15-13-23(14-20(25-15)16-7-3-2-4-8-16)21(24)22-12-18-11-17-9-5-6-10-19(17)26-18/h2-10,15,18,20H,11-14H2,1H3,(H,22,24)/t15-,18-,20-/m1/s1
InChIKeyDYKYTLYWROLLHU-XFQXTVEOSA-N
MW352.43 g/mol
LogP3.16
Rot. Bonds3

About (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (PubChem CID 124866660) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
PubChem CID124866660
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H24N2O3/c1-15-13-23(14-20(25-15)16-7-3-2-4-8-16)21(24)22-12-18-11-17-9-5-6-10-19(17)26-18/h2-10,15,18,20H,11-14H2,1H3,(H,22,24)/t15-,18-,20-/m1/s1
InChIKeyDYKYTLYWROLLHU-XFQXTVEOSA-N
XLogP3.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982
4-benzyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 35673121
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
(2S,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786627
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 35676181
(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786628
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 99813027
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124885588
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (CID 124866660) is (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The InChIKey is DYKYTLYWROLLHU-XFQXTVEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-13-23(14-20(25-15)16-7-3-2-4-8-16)21(24)22-12-18-11-17-9-5-6-10-19(17)26-18/h2-10,15,18,20H,11-14H2,1H3,(H,22,24)/t15-,18-,20-/m1/s1.
What are the key properties of (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 124866660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).