N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide

C15H23N3O3 — CID 80598644

IUPACN-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NC(C)CCc2ccco2)(/C(N)=N/O)C1
InChIInChI=1S/C15H23N3O3/c1-10-8-15(9-10,13(16)18-20)14(19)17-11(2)5-6-12-4-3-7-21-12/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRBOOJRCOYULNJB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.88
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80598644) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80598644
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NC(C)CCc2ccco2)(/C(N)=N/O)C1
InChIInChI=1S/C15H23N3O3/c1-10-8-15(9-10,13(16)18-20)14(19)17-11(2)5-6-12-4-3-7-21-12/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRBOOJRCOYULNJB-UHFFFAOYSA-N
XLogP1.88
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
CID 80588451
N-(furan-2-ylmethyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80591421
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80597541
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
N-[1-(furan-2-yl)ethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80596841
N-[2-(furan-2-yl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921509
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
CID 80597390
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide (CID 80598644) is N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide is CC1CC(C(=O)NC(C)CCc2ccco2)(/C(N)=N/O)C1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is RBOOJRCOYULNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-8-15(9-10,13(16)18-20)14(19)17-11(2)5-6-12-4-3-7-21-12/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80598644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).