N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide

C15H21N3O4 — CID 154740005

IUPACN-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c(C)o1
InChIInChI=1S/C15H21N3O4/c1-8-7-12(9(2)22-8)14(20)17-11-5-3-10(4-6-11)13(19)18-15(16)21/h7,10-11H,3-6H2,1-2H3,(H,17,20)(H3,16,18,19,21)
InChIKeyAQSKHFSEBNUSPJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.38
Rot. Bonds3

About N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide

N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 154740005) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID154740005
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c(C)o1
InChIInChI=1S/C15H21N3O4/c1-8-7-12(9(2)22-8)14(20)17-11-5-3-10(4-6-11)13(19)18-15(16)21/h7,10-11H,3-6H2,1-2H3,(H,17,20)(H3,16,18,19,21)
InChIKeyAQSKHFSEBNUSPJ-UHFFFAOYSA-N
XLogP1.38
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide (CID 154740005) is N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c(C)o1.
What is the InChIKey of N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is AQSKHFSEBNUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-8-7-12(9(2)22-8)14(20)17-11-5-3-10(4-6-11)13(19)18-15(16)21/h7,10-11H,3-6H2,1-2H3,(H,17,20)(H3,16,18,19,21).
What are the key properties of N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide?
N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 154740005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).