N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide

C14H20N2O4 — CID 114631244

IUPACN-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-14(2)10(8-11(14)17)16-12(18)5-6-15-13(19)9-4-3-7-20-9/h3-4,7,10-11,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFFLYPGDGGHJSMX-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.68
Rot. Bonds5

About N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 114631244) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID114631244
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-14(2)10(8-11(14)17)16-12(18)5-6-15-13(19)9-4-3-7-20-9/h3-4,7,10-11,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFFLYPGDGGHJSMX-UHFFFAOYSA-N
XLogP0.68
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
3-(furan-2-carbonylamino)propanoic acid
CID 762504
3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629719

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 114631244) is N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide is CC1(C)C(O)CC1NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is FFLYPGDGGHJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)10(8-11(14)17)16-12(18)5-6-15-13(19)9-4-3-7-20-9/h3-4,7,10-11,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 114631244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).