N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

C16H20N2O4 — CID 34755792

IUPACN-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)CCCNC(=O)c2ccco2)o1
InChIInChI=1S/C16H20N2O4/c1-12-7-8-13(22-12)11-18(2)15(19)6-3-9-17-16(20)14-5-4-10-21-14/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H,17,20)
InChIKeyLENFRLDRLDKDBH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.35
Rot. Bonds7

About N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 34755792) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID34755792
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)CCCNC(=O)c2ccco2)o1
InChIInChI=1S/C16H20N2O4/c1-12-7-8-13(22-12)11-18(2)15(19)6-3-9-17-16(20)14-5-4-10-21-14/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H,17,20)
InChIKeyLENFRLDRLDKDBH-UHFFFAOYSA-N
XLogP2.35
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51181607
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51241859
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 34755792) is N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is Cc1ccc(CN(C)C(=O)CCCNC(=O)c2ccco2)o1.
What is the InChIKey of N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is LENFRLDRLDKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-12-7-8-13(22-12)11-18(2)15(19)6-3-9-17-16(20)14-5-4-10-21-14/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 34755792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).