N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide

C18H23NO4 — CID 111595929

IUPACN-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(O)COCc2ccccc2)c(C)o1
InChIInChI=1S/C18H23NO4/c1-13-9-17(14(2)23-13)18(21)19(3)10-16(20)12-22-11-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3
InChIKeyOHCSNHBEXJAOJO-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.55
Rot. Bonds7

About N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide

N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 111595929) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
PubChem CID111595929
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(O)COCc2ccccc2)c(C)o1
InChIInChI=1S/C18H23NO4/c1-13-9-17(14(2)23-13)18(21)19(3)10-16(20)12-22-11-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3
InChIKeyOHCSNHBEXJAOJO-UHFFFAOYSA-N
XLogP2.55
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide (CID 111595929) is N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)CC(O)COCc2ccccc2)c(C)o1.
What is the InChIKey of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is OHCSNHBEXJAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13-9-17(14(2)23-13)18(21)19(3)10-16(20)12-22-11-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide?
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 111595929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).