N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C23H28N6O4 — CID 3180557

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C23H28N6O4/c1-16-11-12-20(33-16)23-25-27-29(26-23)15-22(31)28(18-9-6-10-19(13-18)32-2)14-21(30)24-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
InChIKeyZFMBJHGYPOCMQN-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3180557) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3180557
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C23H28N6O4/c1-16-11-12-20(33-16)23-25-27-29(26-23)15-22(31)28(18-9-6-10-19(13-18)32-2)14-21(30)24-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
InChIKeyZFMBJHGYPOCMQN-UHFFFAOYSA-N
XLogP2.73
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3180557) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is ZFMBJHGYPOCMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-16-11-12-20(33-16)23-25-27-29(26-23)15-22(31)28(18-9-6-10-19(13-18)32-2)14-21(30)24-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3180557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).