N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide

C19H24N2O4 — CID 111479033

IUPACN-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C(C)(O)CNC(=O)CNC(=O)Cc2ccccc2)c(C)o1
InChIInChI=1S/C19H24N2O4/c1-13-9-16(14(2)25-13)19(3,24)12-21-18(23)11-20-17(22)10-15-7-5-4-6-8-15/h4-9,24H,10-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJFXJNALYYRMJQD-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.58
Rot. Bonds7

About N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 111479033) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID111479033
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C(C)(O)CNC(=O)CNC(=O)Cc2ccccc2)c(C)o1
InChIInChI=1S/C19H24N2O4/c1-13-9-16(14(2)25-13)19(3,24)12-21-18(23)11-20-17(22)10-15-7-5-4-6-8-15/h4-9,24H,10-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJFXJNALYYRMJQD-UHFFFAOYSA-N
XLogP1.58
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 96567175
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 96518388
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 111479033) is N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide is Cc1cc(C(C)(O)CNC(=O)CNC(=O)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is JFXJNALYYRMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-9-16(14(2)25-13)19(3,24)12-21-18(23)11-20-17(22)10-15-7-5-4-6-8-15/h4-9,24H,10-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 344.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 111479033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).