N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide

C15H18N2O5 — CID 168593134

IUPACN-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NCC(O)CO)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H18N2O5/c1-21-13-5-4-10(16-8-11(19)9-18)7-12(13)17-15(20)14-3-2-6-22-14/h2-7,11,16,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyPAKYQUYAXHUPKJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.31
Rot. Bonds7

About N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide

N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 168593134) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
PubChem CID168593134
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NCC(O)CO)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H18N2O5/c1-21-13-5-4-10(16-8-11(19)9-18)7-12(13)17-15(20)14-3-2-6-22-14/h2-7,11,16,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyPAKYQUYAXHUPKJ-UHFFFAOYSA-N
XLogP1.31
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
CID 4905370
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 50982846
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1299860
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide (CID 168593134) is N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide is COc1ccc(NCC(O)CO)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is PAKYQUYAXHUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-13-5-4-10(16-8-11(19)9-18)7-12(13)17-15(20)14-3-2-6-22-14/h2-7,11,16,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide?
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 168593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).