N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide

C15H18N2O4 — CID 168596816

IUPACN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NCC(O)CO)cc2)co1
InChIInChI=1S/C15H18N2O4/c1-10-6-11(9-21-10)15(20)17-13-4-2-12(3-5-13)16-7-14(19)8-18/h2-6,9,14,16,18-19H,7-8H2,1H3,(H,17,20)
InChIKeyJZXLYBROHQUCCV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.61
Rot. Bonds6

About N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide

N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide (PubChem CID 168596816) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
PubChem CID168596816
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NCC(O)CO)cc2)co1
InChIInChI=1S/C15H18N2O4/c1-10-6-11(9-21-10)15(20)17-13-4-2-12(3-5-13)16-7-14(19)8-18/h2-6,9,14,16,18-19H,7-8H2,1H3,(H,17,20)
InChIKeyJZXLYBROHQUCCV-UHFFFAOYSA-N
XLogP1.61
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168597625
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 114818831
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
propan-2-yl 4-[4-(2,3-dihydroxypropylamino)phenyl]benzoate
CID 168596264
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide (CID 168596816) is N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NCC(O)CO)cc2)co1.
What is the InChIKey of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide?
The InChIKey is JZXLYBROHQUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-6-11(9-21-10)15(20)17-13-4-2-12(3-5-13)16-7-14(19)8-18/h2-6,9,14,16,18-19H,7-8H2,1H3,(H,17,20).
What are the key properties of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide?
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 168596816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).