(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C19H28N2O3 — CID 126443915

IUPAC(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)N(C)CCCCN3CCOCC3)ccc2O1
InChIInChI=1S/C19H28N2O3/c1-15-13-17-14-16(5-6-18(17)24-15)19(22)20(2)7-3-4-8-21-9-11-23-12-10-21/h5-6,14-15H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyCYKUVYMURLDKMX-HNNXBMFYSA-N
MW332.44 g/mol
LogP2.19
Rot. Bonds6

About (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide

(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 126443915) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID126443915
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)N(C)CCCCN3CCOCC3)ccc2O1
InChIInChI=1S/C19H28N2O3/c1-15-13-17-14-16(5-6-18(17)24-15)19(22)20(2)7-3-4-8-21-9-11-23-12-10-21/h5-6,14-15H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyCYKUVYMURLDKMX-HNNXBMFYSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
(4E,5S)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 98316072
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 4249113
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 6132815
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 119069461
(4E,5R)-4-[hydroxy-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-5-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 98374846
4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 3271458
N-methyl-4-(1-methylimidazol-2-yl)-N-(4-morpholin-4-ylbutyl)benzamide
CID 119068731
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126426582

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 126443915) is (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide is C[C@H]1Cc2cc(C(=O)N(C)CCCCN3CCOCC3)ccc2O1.
What is the InChIKey of (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is CYKUVYMURLDKMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-13-17-14-16(5-6-18(17)24-15)19(22)20(2)7-3-4-8-21-9-11-23-12-10-21/h5-6,14-15H,3-4,7-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 126443915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).