N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C24H32N6O5 — CID 3178575

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C24H32N6O5/c1-16-7-9-19(35-16)23-26-28-30(27-23)15-22(32)29(14-21(31)25-24(2,3)4)12-11-17-8-10-18(33-5)20(13-17)34-6/h7-10,13H,11-12,14-15H2,1-6H3,(H,25,31)
InChIKeyLZDOPVWJNORBDQ-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.24
Rot. Bonds10

About N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3178575) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3178575
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C24H32N6O5/c1-16-7-9-19(35-16)23-26-28-30(27-23)15-22(32)29(14-21(31)25-24(2,3)4)12-11-17-8-10-18(33-5)20(13-17)34-6/h7-10,13H,11-12,14-15H2,1-6H3,(H,25,31)
InChIKeyLZDOPVWJNORBDQ-UHFFFAOYSA-N
XLogP2.24
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3178575) is N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1ccc(CCN(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is LZDOPVWJNORBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-16-7-9-19(35-16)23-26-28-30(27-23)15-22(32)29(14-21(31)25-24(2,3)4)12-11-17-8-10-18(33-5)20(13-17)34-6/h7-10,13H,11-12,14-15H2,1-6H3,(H,25,31).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3178575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).