N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide

C23H26N2O3 — CID 86882996

IUPACN'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide
SMILESCc1cccc(C2(CNC(=O)C(=O)Nc3ccc4c(c3)CCO4)CCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-16-5-4-6-18(13-16)23(10-2-3-11-23)15-24-21(26)22(27)25-19-7-8-20-17(14-19)9-12-28-20/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXUTSPTWAKNYGGO-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.50
Rot. Bonds4

About N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide (PubChem CID 86882996) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide
PubChem CID86882996
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide
SMILESCc1cccc(C2(CNC(=O)C(=O)Nc3ccc4c(c3)CCO4)CCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-16-5-4-6-18(13-16)23(10-2-3-11-23)15-24-21(26)22(27)25-19-7-8-20-17(14-19)9-12-28-20/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXUTSPTWAKNYGGO-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
CID 24614598
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(3-methylphenyl)urea
CID 90558199
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
CID 111435652
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide (CID 86882996) is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide is Cc1cccc(C2(CNC(=O)C(=O)Nc3ccc4c(c3)CCO4)CCCC2)c1.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide?
The InChIKey is XUTSPTWAKNYGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-5-4-6-18(13-16)23(10-2-3-11-23)15-24-21(26)22(27)25-19-7-8-20-17(14-19)9-12-28-20/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide?
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide has a molecular weight of 378.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide is sourced from PubChem (CID 86882996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).