N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide

C26H34FN7O4 — CID 3174589

IUPACN-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)C(C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H34FN7O4/c1-18-5-10-21(38-18)24-29-31-34(30-24)17-22(35)33(12-11-32-13-15-37-16-14-32)23(25(36)28-26(2,3)4)19-6-8-20(27)9-7-19/h5-10,23H,11-17H2,1-4H3,(H,28,36)
InChIKeyHYWKROUWFIOIRU-UHFFFAOYSA-N
MW527.60 g/mol
LogP2.20
Rot. Bonds9

About N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide

N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 3174589) has the molecular formula C26H34FN7O4 and a molecular weight of 527.60 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
PubChem CID3174589
Molecular FormulaC26H34FN7O4
Molecular Weight527.60 g/mol
Exact Mass527.27
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)C(C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H34FN7O4/c1-18-5-10-21(38-18)24-29-31-34(30-24)17-22(35)33(12-11-32-13-15-37-16-14-32)23(25(36)28-26(2,3)4)19-6-8-20(27)9-7-19/h5-10,23H,11-17H2,1-4H3,(H,28,36)
InChIKeyHYWKROUWFIOIRU-UHFFFAOYSA-N
XLogP2.20
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 40621049
N-tert-butyl-2-[3-(diethylamino)propyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 3174586
N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
CID 651396
(2S)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 40601624
(2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-methoxyphenyl)acetamide
CID 25310814
(2S)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 40601649
(2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
CID 25310865
(2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 25310681
(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 25310400
N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3178995
N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide
CID 3179989
(2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
CID 25311014

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (CID 3174589) is N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)C(C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The InChIKey is HYWKROUWFIOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O4/c1-18-5-10-21(38-18)24-29-31-34(30-24)17-22(35)33(12-11-32-13-15-37-16-14-32)23(25(36)28-26(2,3)4)19-6-8-20(27)9-7-19/h5-10,23H,11-17H2,1-4H3,(H,28,36).
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 527.60 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 3174589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).