N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C23H26N2O4 — CID 8504022

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(C)c2c1
InChIInChI=1S/C23H26N2O4/c1-16-20-12-18(27-2)8-9-21(20)29-22(16)23(26)24-13-19-15-25(10-11-28-19)14-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyCYAIREJQUCWGSA-IBGZPJMESA-N
MW394.47 g/mol
LogP3.38
Rot. Bonds6

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8504022) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8504022
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(C)c2c1
InChIInChI=1S/C23H26N2O4/c1-16-20-12-18(27-2)8-9-21(20)29-22(16)23(26)24-13-19-15-25(10-11-28-19)14-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyCYAIREJQUCWGSA-IBGZPJMESA-N
XLogP3.38
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292
5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511285
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8504022) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(C)c2c1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CYAIREJQUCWGSA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-20-12-18(27-2)8-9-21(20)29-22(16)23(26)24-13-19-15-25(10-11-28-19)14-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8504022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).