2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide

C19H23N3O3 — CID 665349

IUPAC2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C19H23N3O3/c23-18(20-13-15-9-6-12-25-15)16-10-4-5-11-17(16)22-19(24)21-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,20,23)(H2,21,22,24)
InChIKeyHBEKESMRDMQVJK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.66
Rot. Bonds5

About 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide

2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide (PubChem CID 665349) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide
PubChem CID665349
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C19H23N3O3/c23-18(20-13-15-9-6-12-25-15)16-10-4-5-11-17(16)22-19(24)21-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,20,23)(H2,21,22,24)
InChIKeyHBEKESMRDMQVJK-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide (CID 665349) is 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is HBEKESMRDMQVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(20-13-15-9-6-12-25-15)16-10-4-5-11-17(16)22-19(24)21-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide?
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 665349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).