4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

C28H34N4O4 — CID 134050577

IUPAC4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H34N4O4/c1-18(2)24(32-25(33)19-8-10-20(11-9-19)28(3,4)5)26(34)30-21-12-14-22(15-13-21)31-27(35)29-17-23-7-6-16-36-23/h6-16,18,24H,17H2,1-5H3,(H,30,34)(H,32,33)(H2,29,31,35)
InChIKeyNJMVMQNFUHNLMZ-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.29
Rot. Bonds8

About 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 134050577) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID134050577
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H34N4O4/c1-18(2)24(32-25(33)19-8-10-20(11-9-19)28(3,4)5)26(34)30-21-12-14-22(15-13-21)31-27(35)29-17-23-7-6-16-36-23/h6-16,18,24H,17H2,1-5H3,(H,30,34)(H,32,33)(H2,29,31,35)
InChIKeyNJMVMQNFUHNLMZ-UHFFFAOYSA-N
XLogP5.29
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693805
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CID 29367214
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
CID 55560299
4-tert-butyl-N-[1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55387870
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CID 9366689
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CID 43011713
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 134050577) is 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is NJMVMQNFUHNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18(2)24(32-25(33)19-8-10-20(11-9-19)28(3,4)5)26(34)30-21-12-14-22(15-13-21)31-27(35)29-17-23-7-6-16-36-23/h6-16,18,24H,17H2,1-5H3,(H,30,34)(H,32,33)(H2,29,31,35).
What are the key properties of 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 490.60 g/mol, XLogP of 5.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134050577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).