N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide

C24H32N6O4 — CID 646053

IUPACN-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide
SMILESCCOc1ccccc1N(C(=O)Cn1nnnc1-c1ccc(C)o1)C(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C24H32N6O4/c1-7-17(23(32)25-24(4,5)6)30(18-11-9-10-12-19(18)33-8-2)21(31)15-29-22(26-27-28-29)20-14-13-16(3)34-20/h9-14,17H,7-8,15H2,1-6H3,(H,25,32)
InChIKeyNQYKBRGSYYWLQH-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.37
Rot. Bonds9

About N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide

N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide (PubChem CID 646053) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide
PubChem CID646053
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC NameN-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide
SMILESCCOc1ccccc1N(C(=O)Cn1nnnc1-c1ccc(C)o1)C(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C24H32N6O4/c1-7-17(23(32)25-24(4,5)6)30(18-11-9-10-12-19(18)33-8-2)21(31)15-29-22(26-27-28-29)20-14-13-16(3)34-20/h9-14,17H,7-8,15H2,1-6H3,(H,25,32)
InChIKeyNQYKBRGSYYWLQH-UHFFFAOYSA-N
XLogP3.37
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-Furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 3214961
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
CID 3236382
2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-methoxyphenyl)acetamide
CID 663014
2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
N-(2-ethoxyphenyl)-2-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 663339
2-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1457274
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795
N-Cyclopentylcarbamoylmethyl-N-(2-methoxy-5-methyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179808
N-Cyclopentyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179950
N-Cyclohexylcarbamoylmethyl-N-(3-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3180557
N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 24981989

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide?
The IUPAC name of N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide (CID 646053) is N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide.
What is the SMILES notation for N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide?
The canonical SMILES for N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide is CCOc1ccccc1N(C(=O)Cn1nnnc1-c1ccc(C)o1)C(CC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide?
The InChIKey is NQYKBRGSYYWLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-7-17(23(32)25-24(4,5)6)30(18-11-9-10-12-19(18)33-8-2)21(31)15-29-22(26-27-28-29)20-14-13-16(3)34-20/h9-14,17H,7-8,15H2,1-6H3,(H,25,32).
What are the key properties of N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide?
N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide has a molecular weight of 468.56 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 646053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).