4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide

C23H36N2O2 — CID 90557948

IUPAC4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)CC1
InChIInChI=1S/C23H36N2O2/c1-4-5-6-17-7-9-18(10-8-17)23(26)24-16-21(25(2)3)19-11-12-22-20(15-19)13-14-27-22/h11-12,15,17-18,21H,4-10,13-14,16H2,1-3H3,(H,24,26)
InChIKeyZDOOATCIQSQGLQ-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.34
Rot. Bonds8

About 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide

4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 90557948) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID90557948
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)CC1
InChIInChI=1S/C23H36N2O2/c1-4-5-6-17-7-9-18(10-8-17)23(26)24-16-21(25(2)3)19-11-12-22-20(15-19)13-14-27-22/h11-12,15,17-18,21H,4-10,13-14,16H2,1-3H3,(H,24,26)
InChIKeyZDOOATCIQSQGLQ-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-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'-cyclopropyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]oxamide
CID 90558113
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
CID 90557906
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 90558183
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 90557931
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
CID 116906138
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 90557996
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-2-carboxamide
CID 121126923
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(3,5-dimethylphenyl)urea
CID 90558202
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 71798196
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide
CID 90557945
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide (CID 90557948) is 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)CC1.
What is the InChIKey of 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ZDOOATCIQSQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-4-5-6-17-7-9-18(10-8-17)23(26)24-16-21(25(2)3)19-11-12-22-20(15-19)13-14-27-22/h11-12,15,17-18,21H,4-10,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 372.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90557948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).