N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

C24H30N4O3 — CID 53297485

IUPACN-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccn[nH]1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N4O3/c1-23(2,3)16-9-11-17(12-10-16)28(22(30)19-8-7-15-31-19)20(18-13-14-25-27-18)21(29)26-24(4,5)6/h7-15,20H,1-6H3,(H,25,27)(H,26,29)
InChIKeyHCOSWFSNEAPRBE-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (PubChem CID 53297485) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
PubChem CID53297485
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccn[nH]1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N4O3/c1-23(2,3)16-9-11-17(12-10-16)28(22(30)19-8-7-15-31-19)20(18-13-14-25-27-18)21(29)26-24(4,5)6/h7-15,20H,1-6H3,(H,25,27)(H,26,29)
InChIKeyHCOSWFSNEAPRBE-UHFFFAOYSA-N
XLogP4.60
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (CID 53297485) is N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is CC(C)(C)NC(=O)C(c1ccn[nH]1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The InChIKey is HCOSWFSNEAPRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-23(2,3)16-9-11-17(12-10-16)28(22(30)19-8-7-15-31-19)20(18-13-14-25-27-18)21(29)26-24(4,5)6/h7-15,20H,1-6H3,(H,25,27)(H,26,29).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53297485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).