N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide

C14H20N2O4 — CID 115878396

IUPACN-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC1(CO)CCC1
InChIInChI=1S/C14H20N2O4/c17-10-14(6-3-7-14)16-12(18)5-1-8-15-13(19)11-4-2-9-20-11/h2,4,9,17H,1,3,5-8,10H2,(H,15,19)(H,16,18)
InChIKeyCSCCUKSRXMIBCO-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.82
Rot. Bonds7

About N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 115878396) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID115878396
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC1(CO)CCC1
InChIInChI=1S/C14H20N2O4/c17-10-14(6-3-7-14)16-12(18)5-1-8-15-13(19)11-4-2-9-20-11/h2,4,9,17H,1,3,5-8,10H2,(H,15,19)(H,16,18)
InChIKeyCSCCUKSRXMIBCO-UHFFFAOYSA-N
XLogP0.82
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
CID 79849169
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
3-(furan-2-carbonylamino)propanoic acid
CID 762504
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 115878396) is N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NC1(CO)CCC1.
What is the InChIKey of N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is CSCCUKSRXMIBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-10-14(6-3-7-14)16-12(18)5-1-8-15-13(19)11-4-2-9-20-11/h2,4,9,17H,1,3,5-8,10H2,(H,15,19)(H,16,18).
What are the key properties of N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 115878396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).