2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide

C23H29FN6O4 — CID 3179612

IUPAC2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C(c1ccco1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H29FN6O4/c1-16(2)10-11-25-23(33)21(19-5-3-14-34-19)29(12-4-13-31)20(32)15-30-27-22(26-28-30)17-6-8-18(24)9-7-17/h3,5-9,14,16,21,31H,4,10-13,15H2,1-2H3,(H,25,33)
InChIKeyOBCXRSWACMCXIL-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.19
Rot. Bonds12

About 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide

2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide (PubChem CID 3179612) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
PubChem CID3179612
Molecular FormulaC23H29FN6O4
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C(c1ccco1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H29FN6O4/c1-16(2)10-11-25-23(33)21(19-5-3-14-34-19)29(12-4-13-31)20(32)15-30-27-22(26-28-30)17-6-8-18(24)9-7-17/h3,5-9,14,16,21,31H,4,10-13,15H2,1-2H3,(H,25,33)
InChIKeyOBCXRSWACMCXIL-UHFFFAOYSA-N
XLogP2.19
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
CID 3174745
N-Cyclopentyl-2-((3-ethoxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(5-methyl-furan-2-yl)-acetamide
CID 3174772
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174854
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
CID 3175037
2-Furan-2-yl-2-(furan-2-ylmethyl-{2-[5-(4-methoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175044

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide (CID 3179612) is 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)C(c1ccco1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is OBCXRSWACMCXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O4/c1-16(2)10-11-25-23(33)21(19-5-3-14-34-19)29(12-4-13-31)20(32)15-30-27-22(26-28-30)17-6-8-18(24)9-7-17/h3,5-9,14,16,21,31H,4,10-13,15H2,1-2H3,(H,25,33).
What are the key properties of 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide?
2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 472.52 g/mol, XLogP of 2.19, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 3179612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).