4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide

C27H29N5O4 — CID 145060443

IUPAC4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide
SMILESO=C(c1ccc(-c2ccco2)cc1)N(Cc1ccccc1OCCCCCc1nn[nH]n1)C1(O)CC1
InChIInChI=1S/C27H29N5O4/c33-26(21-13-11-20(12-14-21)23-9-6-18-36-23)32(27(34)15-16-27)19-22-7-3-4-8-24(22)35-17-5-1-2-10-25-28-30-31-29-25/h3-4,6-9,11-14,18,34H,1-2,5,10,15-17,19H2,(H,28,29,30,31)
InChIKeyDJKDBLJAKSPLJO-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.38
Rot. Bonds12

About 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide

4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide (PubChem CID 145060443) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide
PubChem CID145060443
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide
SMILESO=C(c1ccc(-c2ccco2)cc1)N(Cc1ccccc1OCCCCCc1nn[nH]n1)C1(O)CC1
InChIInChI=1S/C27H29N5O4/c33-26(21-13-11-20(12-14-21)23-9-6-18-36-23)32(27(34)15-16-27)19-22-7-3-4-8-24(22)35-17-5-1-2-10-25-28-30-31-29-25/h3-4,6-9,11-14,18,34H,1-2,5,10,15-17,19H2,(H,28,29,30,31)
InChIKeyDJKDBLJAKSPLJO-UHFFFAOYSA-N
XLogP4.38
TPSA117.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide
CID 121270177
4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
CID 145060930
6-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;N-(2-deuteriopropan-2-yl)-4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;7-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;6-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;N-[dideuterio-[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-4-(furan-2-yl)-N-propan-2-ylbenzamide
CID 159226681
6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid
CID 158321251
6-[2-[[cyclopentyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 86281299
N-cyclopropyl-N-[dideuterio-[2-[5-(3-oxo-1,2-thiazol-5-yl)pentoxy]phenyl]methyl]-4-(furan-2-yl)benzamide
CID 121270299
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[2-(trifluoromethyl)phenyl]benzamide
CID 145060556
N-[dideuterio(phenyl)methyl]-4-(furan-2-yl)-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]benzamide
CID 121270600
N-cyclopropyl-N-[dideuterio-[2-[5-(2-methyl-5-oxo-1H-pyrazol-3-yl)pentoxy]phenyl]methyl]-4-(furan-2-yl)benzamide
CID 121270807
sodium 6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoate
CID 121270245
sodium 6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hexanoate
CID 121270157
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 145060810

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide?
The IUPAC name of 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide (CID 145060443) is 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide is O=C(c1ccc(-c2ccco2)cc1)N(Cc1ccccc1OCCCCCc1nn[nH]n1)C1(O)CC1.
What is the InChIKey of 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide?
The InChIKey is DJKDBLJAKSPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c33-26(21-13-11-20(12-14-21)23-9-6-18-36-23)32(27(34)15-16-27)19-22-7-3-4-8-24(22)35-17-5-1-2-10-25-28-30-31-29-25/h3-4,6-9,11-14,18,34H,1-2,5,10,15-17,19H2,(H,28,29,30,31).
What are the key properties of 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide?
4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 4.38, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 145060443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).