N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

C24H30N4O3 — CID 51003648

IUPACN-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cnc[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)19-8-7-13-31-19)20(18-14-25-15-26-18)21(29)27-24(4,5)6/h7-15,20H,1-6H3,(H,25,26)(H,27,29)
InChIKeyMESBDSHAAOLHLD-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (PubChem CID 51003648) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
PubChem CID51003648
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cnc[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)19-8-7-13-31-19)20(18-14-25-15-26-18)21(29)27-24(4,5)6/h7-15,20H,1-6H3,(H,25,26)(H,27,29)
InChIKeyMESBDSHAAOLHLD-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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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyrazin-2-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003636
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 6996550
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 3242306
5-(N-[2-furoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 10925382
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893928
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-furamide
CID 852162
(2E)-2-(2-furylcarbonylamino)-N-(3-imidazolylpropyl)-3-(3-pyridyl)prop-2-enami de
CID 5732797
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 7080334
N-[4-[3-(benzimidazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 9263630
(6S)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304361
(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304362
5-bromo-N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16293300

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (CID 51003648) is N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is CC(C)(C)NC(=O)C(c1cnc[nH]1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The InChIKey is MESBDSHAAOLHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-23(2,3)16-9-11-17(12-10-16)28(22(30)19-8-7-13-31-19)20(18-14-25-15-26-18)21(29)27-24(4,5)6/h7-15,20H,1-6H3,(H,25,26)(H,27,29).
What are the key properties of N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-1-(1H-imidazol-5-yl)-2-oxoethyl]-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)-1-(1H-imidazol-5-yl)-2-oxoethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is sourced from PubChem (CID 51003648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).