N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C17H24N2O2 — CID 79119316

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C17H24N2O2/c1-18-14-4-6-15(7-5-14)19(2)17(20)13-3-8-16-12(11-13)9-10-21-16/h3,8,11,14-15,18H,4-7,9-10H2,1-2H3
InChIKeyDXWJOWLMVXMOGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.22
Rot. Bonds3

About N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 79119316) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID79119316
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C17H24N2O2/c1-18-14-4-6-15(7-5-14)19(2)17(20)13-3-8-16-12(11-13)9-10-21-16/h3,8,11,14-15,18H,4-7,9-10H2,1-2H3
InChIKeyDXWJOWLMVXMOGD-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
N-methyl-N-[4-(methylamino)cyclohexyl]-1H-indole-5-carboxamide
CID 79117939
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
CID 103456024
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 79119316) is N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CNC1CCC(N(C)C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is DXWJOWLMVXMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-14-4-6-15(7-5-14)19(2)17(20)13-3-8-16-12(11-13)9-10-21-16/h3,8,11,14-15,18H,4-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 79119316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).