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

C15H18N2O4 — CID 168597625

IUPACN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NCC(O)CO)cc2)o1
InChIInChI=1S/C15H18N2O4/c1-10-2-7-14(21-10)15(20)17-12-5-3-11(4-6-12)16-8-13(19)9-18/h2-7,13,16,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyDODKJPBCWNTJRN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.61
Rot. Bonds6

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

N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 168597625) 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-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
PubChem CID168597625
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NCC(O)CO)cc2)o1
InChIInChI=1S/C15H18N2O4/c1-10-2-7-14(21-10)15(20)17-12-5-3-11(4-6-12)16-8-13(19)9-18/h2-7,13,16,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyDODKJPBCWNTJRN-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-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
CID 168596816
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168542050
N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460
3-[4-[(4-methylphenyl)methoxy]anilino]propane-1,2-diol
CID 168595338
(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide (CID 168597625) is N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NCC(O)CO)cc2)o1.
What is the InChIKey of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is DODKJPBCWNTJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-2-7-14(21-10)15(20)17-12-5-3-11(4-6-12)16-8-13(19)9-18/h2-7,13,16,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide?
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-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-2-carboxamide is sourced from PubChem (CID 168597625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).