N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide

C25H28N2O4 — CID 51592336

IUPACN-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc([C@H](C)N3CCOCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4/c1-18(27-14-16-30-17-15-27)22-12-13-23(31-22)25(28)26-24(19-6-4-3-5-7-19)20-8-10-21(29-2)11-9-20/h3-13,18,24H,14-17H2,1-2H3,(H,26,28)/t18-,24+/m0/s1
InChIKeyPTUBTJFOQJVSCJ-MHECFPHRSA-N
MW420.51 g/mol
LogP4.20
Rot. Bonds7

About N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide (PubChem CID 51592336) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide
PubChem CID51592336
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc([C@H](C)N3CCOCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4/c1-18(27-14-16-30-17-15-27)22-12-13-23(31-22)25(28)26-24(19-6-4-3-5-7-19)20-8-10-21(29-2)11-9-20/h3-13,18,24H,14-17H2,1-2H3,(H,26,28)/t18-,24+/m0/s1
InChIKeyPTUBTJFOQJVSCJ-MHECFPHRSA-N
XLogP4.20
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide
CID 110418357
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide (CID 51592336) is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide is COc1ccc([C@H](NC(=O)c2ccc([C@H](C)N3CCOCC3)o2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide?
The InChIKey is PTUBTJFOQJVSCJ-MHECFPHRSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-18(27-14-16-30-17-15-27)22-12-13-23(31-22)25(28)26-24(19-6-4-3-5-7-19)20-8-10-21(29-2)11-9-20/h3-13,18,24H,14-17H2,1-2H3,(H,26,28)/t18-,24+/m0/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide?
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 51592336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).