3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C24H34N2O4 — CID 24551010

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCC(=O)NCc2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O4/c1-23(2,3)18-12-16(13-19(22(18)29)24(4,5)6)9-10-20(27)26-15-21(28)25-14-17-8-7-11-30-17/h7-8,11-13,29H,9-10,14-15H2,1-6H3,(H,25,28)(H,26,27)
InChIKeyPCSYWZZHLABZLO-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.95
Rot. Bonds7

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 24551010) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID24551010
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCC(=O)NCc2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O4/c1-23(2,3)18-12-16(13-19(22(18)29)24(4,5)6)9-10-20(27)26-15-21(28)25-14-17-8-7-11-30-17/h7-8,11-13,29H,9-10,14-15H2,1-6H3,(H,25,28)(H,26,27)
InChIKeyPCSYWZZHLABZLO-UHFFFAOYSA-N
XLogP3.95
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 55512609
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110024390
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 24551010) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is CC(C)(C)c1cc(CCC(=O)NCC(=O)NCc2ccco2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is PCSYWZZHLABZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-23(2,3)18-12-16(13-19(22(18)29)24(4,5)6)9-10-20(27)26-15-21(28)25-14-17-8-7-11-30-17/h7-8,11-13,29H,9-10,14-15H2,1-6H3,(H,25,28)(H,26,27).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 414.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 24551010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).