N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide

C9H13NO4 — CID 114821790

IUPACN-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)CO)co1
InChIInChI=1S/C9H13NO4/c1-6-2-7(5-14-6)9(13)10-3-8(12)4-11/h2,5,8,11-12H,3-4H2,1H3,(H,10,13)
InChIKeyZNMGFWVXEZSCLM-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.33
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide

N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide (PubChem CID 114821790) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
PubChem CID114821790
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC NameN-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)CO)co1
InChIInChI=1S/C9H13NO4/c1-6-2-7(5-14-6)9(13)10-3-8(12)4-11/h2,5,8,11-12H,3-4H2,1H3,(H,10,13)
InChIKeyZNMGFWVXEZSCLM-UHFFFAOYSA-N
XLogP-0.33
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
CID 168596816
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
CID 106287191
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
CID 66176629
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide (CID 114821790) is N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)CO)co1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide?
The InChIKey is ZNMGFWVXEZSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6-2-7(5-14-6)9(13)10-3-8(12)4-11/h2,5,8,11-12H,3-4H2,1H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide?
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).