4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide

C20H28N2O3 — CID 111482555

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC(C)(O)c2ccco2)cc1)C(C)C
InChIInChI=1S/C20H28N2O3/c1-5-22(15(2)3)13-16-8-10-17(11-9-16)19(23)21-14-20(4,24)18-7-6-12-25-18/h6-12,15,24H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyPHCAWDKBCSYUIC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.15
Rot. Bonds8

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide

4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide (PubChem CID 111482555) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
PubChem CID111482555
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC(C)(O)c2ccco2)cc1)C(C)C
InChIInChI=1S/C20H28N2O3/c1-5-22(15(2)3)13-16-8-10-17(11-9-16)19(23)21-14-20(4,24)18-7-6-12-25-18/h6-12,15,24H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyPHCAWDKBCSYUIC-UHFFFAOYSA-N
XLogP3.15
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 52516146
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide (CID 111482555) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide is CCN(Cc1ccc(C(=O)NCC(C)(O)c2ccco2)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide?
The InChIKey is PHCAWDKBCSYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-22(15(2)3)13-16-8-10-17(11-9-16)19(23)21-14-20(4,24)18-7-6-12-25-18/h6-12,15,24H,5,13-14H2,1-4H3,(H,21,23).
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide?
4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 111482555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).