N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C25H29NO6 — CID 96518388

IUPACN-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H29NO6/c1-16-11-20(17(2)32-16)25(3,28)15-26-24(27)19-12-21(29-4)23(22(13-19)30-5)31-14-18-9-7-6-8-10-18/h6-13,28H,14-15H2,1-5H3,(H,26,27)/t25-/m1/s1
InChIKeyJBONEFSQJNEZDK-RUZDIDTESA-N
MW439.51 g/mol
LogP4.13
Rot. Bonds9

About N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 96518388) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID96518388
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC NameN-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H29NO6/c1-16-11-20(17(2)32-16)25(3,28)15-26-24(27)19-12-21(29-4)23(22(13-19)30-5)31-14-18-9-7-6-8-10-18/h6-13,28H,14-15H2,1-5H3,(H,26,27)/t25-/m1/s1
InChIKeyJBONEFSQJNEZDK-RUZDIDTESA-N
XLogP4.13
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 96518388) is N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is JBONEFSQJNEZDK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29NO6/c1-16-11-20(17(2)32-16)25(3,28)15-26-24(27)19-12-21(29-4)23(22(13-19)30-5)31-14-18-9-7-6-8-10-18/h6-13,28H,14-15H2,1-5H3,(H,26,27)/t25-/m1/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 439.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 96518388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).