[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone

C18H24N2O4 — CID 138000103

IUPAC[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone
SMILESCOc1cc(C)cc2c(C)c(C(=O)N3CCCOC(CN)C3)oc12
InChIInChI=1S/C18H24N2O4/c1-11-7-14-12(2)16(24-17(14)15(8-11)22-3)18(21)20-5-4-6-23-13(9-19)10-20/h7-8,13H,4-6,9-10,19H2,1-3H3
InChIKeyGYROAINPWOLFBZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.25
Rot. Bonds3

About [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone

[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone (PubChem CID 138000103) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone
PubChem CID138000103
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone
SMILESCOc1cc(C)cc2c(C)c(C(=O)N3CCCOC(CN)C3)oc12
InChIInChI=1S/C18H24N2O4/c1-11-7-14-12(2)16(24-17(14)15(8-11)22-3)18(21)20-5-4-6-23-13(9-19)10-20/h7-8,13H,4-6,9-10,19H2,1-3H3
InChIKeyGYROAINPWOLFBZ-UHFFFAOYSA-N
XLogP2.25
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone 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

[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[2-(aminomethyl)morpholin-4-yl]-(3-methyl-5-nitrophenyl)methanone
CID 114398165
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
3,5,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 95084830
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 170896979
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973
[2-(aminomethyl)-1,4-oxazepan-4-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 154768989
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone (CID 138000103) is [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone is COc1cc(C)cc2c(C)c(C(=O)N3CCCOC(CN)C3)oc12.
What is the InChIKey of [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is GYROAINPWOLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-7-14-12(2)16(24-17(14)15(8-11)22-3)18(21)20-5-4-6-23-13(9-19)10-20/h7-8,13H,4-6,9-10,19H2,1-3H3.
What are the key properties of [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone?
[2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,4-oxazepan-4-yl]-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 138000103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).