4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide

C29H35NO4 — CID 145060930

IUPAC4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
SMILESCCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccco2)cc1)C1(O)CCCC1
InChIInChI=1S/C29H35NO4/c1-2-3-4-9-20-33-27-12-6-5-11-25(27)22-30(29(32)18-7-8-19-29)28(31)24-16-14-23(15-17-24)26-13-10-21-34-26/h5-6,10-17,21,32H,2-4,7-9,18-20,22H2,1H3
InChIKeyNJGWKLOQKRKCSX-UHFFFAOYSA-N
MW461.60 g/mol
LogP6.81
Rot. Bonds11

About 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide

4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide (PubChem CID 145060930) has the molecular formula C29H35NO4 and a molecular weight of 461.60 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
PubChem CID145060930
Molecular FormulaC29H35NO4
Molecular Weight461.60 g/mol
Exact Mass461.26
IUPAC Name4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
SMILESCCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccco2)cc1)C1(O)CCCC1
InChIInChI=1S/C29H35NO4/c1-2-3-4-9-20-33-27-12-6-5-11-25(27)22-30(29(32)18-7-8-19-29)28(31)24-16-14-23(15-17-24)26-13-10-21-34-26/h5-6,10-17,21,32H,2-4,7-9,18-20,22H2,1H3
InChIKeyNJGWKLOQKRKCSX-UHFFFAOYSA-N
XLogP6.81
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide
CID 145060443
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[2-(trifluoromethyl)phenyl]benzamide
CID 145060556
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 145060810
6-[2-[[cyclopentyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 86281299
4-(furan-2-yl)-N-[(2-hexoxyphenyl)-dihydroxymethyl]-N-propan-2-ylbenzamide
CID 145061032
2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propyl]cyclopropane-1-carboxylic acid
CID 121269401
N-[dideuterio(phenyl)methyl]-4-(furan-2-yl)-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]benzamide
CID 121270600
sodium 6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoate
CID 121270245
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
sodium 6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hexanoate
CID 121270157
ethane;ethyl 2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetate
CID 145061898
4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide
CID 121270177

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide?
The IUPAC name of 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide (CID 145060930) is 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide is CCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccco2)cc1)C1(O)CCCC1.
What is the InChIKey of 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide?
The InChIKey is NJGWKLOQKRKCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4/c1-2-3-4-9-20-33-27-12-6-5-11-25(27)22-30(29(32)18-7-8-19-29)28(31)24-16-14-23(15-17-24)26-13-10-21-34-26/h5-6,10-17,21,32H,2-4,7-9,18-20,22H2,1H3.
What are the key properties of 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide?
4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide has a molecular weight of 461.60 g/mol, XLogP of 6.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide is sourced from PubChem (CID 145060930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).