4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide

C20H25NO3 — CID 121085441

IUPAC4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(O)(c2ccco2)C2CC2)cc1
InChIInChI=1S/C20H25NO3/c1-19(2,3)15-8-6-14(7-9-15)18(22)21-13-20(23,16-10-11-16)17-5-4-12-24-17/h4-9,12,16,23H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyCXYATWIGVYXSKJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.60
Rot. Bonds5

About 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide

4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide (PubChem CID 121085441) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
PubChem CID121085441
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(O)(c2ccco2)C2CC2)cc1
InChIInChI=1S/C20H25NO3/c1-19(2,3)15-8-6-14(7-9-15)18(22)21-13-20(23,16-10-11-16)17-5-4-12-24-17/h4-9,12,16,23H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyCXYATWIGVYXSKJ-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 95982419
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
CID 121085634
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide (CID 121085441) is 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(O)(c2ccco2)C2CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The InChIKey is CXYATWIGVYXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-19(2,3)15-8-6-14(7-9-15)18(22)21-13-20(23,16-10-11-16)17-5-4-12-24-17/h4-9,12,16,23H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 121085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).