N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide

C19H23N3O3 — CID 35334881

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H23N3O3/c23-18(14-5-2-1-3-6-14)21-15-8-10-16(11-9-15)22-19(24)20-13-17-7-4-12-25-17/h4,7-12,14H,1-3,5-6,13H2,(H,21,23)(H2,20,22,24)
InChIKeyQLKOCHZOHKEFDF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.12
Rot. Bonds5

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 35334881) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
PubChem CID35334881
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H23N3O3/c23-18(14-5-2-1-3-6-14)21-15-8-10-16(11-9-15)22-19(24)20-13-17-7-4-12-25-17/h4,7-12,14H,1-3,5-6,13H2,(H,21,23)(H2,20,22,24)
InChIKeyQLKOCHZOHKEFDF-UHFFFAOYSA-N
XLogP4.12
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55966537
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-cyclopentyl-4-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)benzamide
CID 86926762
2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 134050621
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 134050585
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide (CID 35334881) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is QLKOCHZOHKEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(14-5-2-1-3-6-14)21-15-8-10-16(11-9-15)22-19(24)20-13-17-7-4-12-25-17/h4,7-12,14H,1-3,5-6,13H2,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 35334881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).