N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide

C22H21NO4 — CID 121085486

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c24-21(23-15-22(25,17-10-11-17)20-7-4-14-26-20)16-8-12-19(13-9-16)27-18-5-2-1-3-6-18/h1-9,12-14,17,25H,10-11,15H2,(H,23,24)
InChIKeyWQKHOFIGYNTTDX-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.10
Rot. Bonds7

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide (PubChem CID 121085486) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
PubChem CID121085486
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c24-21(23-15-22(25,17-10-11-17)20-7-4-14-26-20)16-8-12-19(13-9-16)27-18-5-2-1-3-6-18/h1-9,12-14,17,25H,10-11,15H2,(H,23,24)
InChIKeyWQKHOFIGYNTTDX-UHFFFAOYSA-N
XLogP4.10
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 121085653
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

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide (CID 121085486) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide is O=C(NCC(O)(c1ccco1)C1CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The InChIKey is WQKHOFIGYNTTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-21(23-15-22(25,17-10-11-17)20-7-4-14-26-20)16-8-12-19(13-9-16)27-18-5-2-1-3-6-18/h1-9,12-14,17,25H,10-11,15H2,(H,23,24).
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide has a molecular weight of 363.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide is sourced from PubChem (CID 121085486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).