(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C23H26N2O4 — CID 51930927

IUPAC(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@H]1C
InChIInChI=1S/C23H26N2O4/c1-15-16(2)29-21-19(15)4-3-5-20(21)22(26)24-14-17-6-8-18(9-7-17)23(27)25-10-12-28-13-11-25/h3-9,15-16H,10-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyTVXAJTWIKCWZSC-HOTGVXAUSA-N
MW394.47 g/mol
LogP2.97
Rot. Bonds4

About (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 51930927) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID51930927
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@H]1C
InChIInChI=1S/C23H26N2O4/c1-15-16(2)29-21-19(15)4-3-5-20(21)22(26)24-14-17-6-8-18(9-7-17)23(27)25-10-12-28-13-11-25/h3-9,15-16H,10-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyTVXAJTWIKCWZSC-HOTGVXAUSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 153344851
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
(2S)-4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834347
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
4-acetyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42938457
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 51930927) is (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is C[C@@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@H]1C.
What is the InChIKey of (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is TVXAJTWIKCWZSC-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-16(2)29-21-19(15)4-3-5-20(21)22(26)24-14-17-6-8-18(9-7-17)23(27)25-10-12-28-13-11-25/h3-9,15-16H,10-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1.
What are the key properties of (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
(2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 51930927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).