3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 48664763

IUPAC3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)oc2c(C)cccc12
InChIInChI=1S/C23H26N2O3/c1-15-5-4-6-20-16(2)22(28-21(15)20)23(26)24-17(3)18-7-9-19(10-8-18)25-11-13-27-14-12-25/h4-10,17H,11-14H2,1-3H3,(H,24,26)
InChIKeySSMRXJUNOWRWAW-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.38
Rot. Bonds4

About 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 48664763) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID48664763
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)oc2c(C)cccc12
InChIInChI=1S/C23H26N2O3/c1-15-5-4-6-20-16(2)22(28-21(15)20)23(26)24-17(3)18-7-9-19(10-8-18)25-11-13-27-14-12-25/h4-10,17H,11-14H2,1-3H3,(H,24,26)
InChIKeySSMRXJUNOWRWAW-UHFFFAOYSA-N
XLogP4.38
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
N-ethyl-3,7-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 60567089
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
CID 92625902
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
4-methyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3-nitrobenzamide
CID 48663876
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 48664763) is 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)oc2c(C)cccc12.
What is the InChIKey of 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is SSMRXJUNOWRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-5-4-6-20-16(2)22(28-21(15)20)23(26)24-17(3)18-7-9-19(10-8-18)25-11-13-27-14-12-25/h4-10,17H,11-14H2,1-3H3,(H,24,26).
What are the key properties of 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 48664763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).