N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide

C22H24N2O3 — CID 86834650

IUPACN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(=O)NC2CCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-14-17-11-10-15-6-2-5-9-18(15)21(17)27-20(14)22(26)23-13-12-19(25)24-16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDSXWPSXCRBABLG-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 86834650) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID86834650
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(=O)NC2CCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-14-17-11-10-15-6-2-5-9-18(15)21(17)27-20(14)22(26)23-13-12-19(25)24-16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDSXWPSXCRBABLG-UHFFFAOYSA-N
XLogP4.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27023364
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 86834650) is N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCCC(=O)NC2CCCC2)oc2c1ccc1ccccc12.
What is the InChIKey of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is DSXWPSXCRBABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-17-11-10-15-6-2-5-9-18(15)21(17)27-20(14)22(26)23-13-12-19(25)24-16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 86834650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).