N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide

C12H18N2O4 — CID 60740288

IUPACN-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCN(CCO)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-14(7-8-15)11(16)5-2-6-13-12(17)10-4-3-9-18-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,17)
InChIKeySORXJRJCDCKSNZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds7

About N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 60740288) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID60740288
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCN(CCO)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-14(7-8-15)11(16)5-2-6-13-12(17)10-4-3-9-18-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,17)
InChIKeySORXJRJCDCKSNZ-UHFFFAOYSA-N
XLogP0.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51241859
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51181607
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide (CID 60740288) is N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide is CN(CCO)C(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is SORXJRJCDCKSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14(7-8-15)11(16)5-2-6-13-12(17)10-4-3-9-18-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,17).
What are the key properties of N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 60740288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).