3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide

C15H23N3O3 — CID 47056473

IUPAC3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCc1ccoc1
InChIInChI=1S/C15H23N3O3/c19-14(17-10-12-7-9-21-11-12)6-8-16-15(20)18-13-4-2-1-3-5-13/h7,9,11,13H,1-6,8,10H2,(H,17,19)(H2,16,18,20)
InChIKeyDTFPIHHUJZTVCO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.92
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide

3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide (PubChem CID 47056473) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide
PubChem CID47056473
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCc1ccoc1
InChIInChI=1S/C15H23N3O3/c19-14(17-10-12-7-9-21-11-12)6-8-16-15(20)18-13-4-2-1-3-5-13/h7,9,11,13H,1-6,8,10H2,(H,17,19)(H2,16,18,20)
InChIKeyDTFPIHHUJZTVCO-UHFFFAOYSA-N
XLogP1.92
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide (CID 47056473) is 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide is O=C(CCNC(=O)NC1CCCCC1)NCc1ccoc1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide?
The InChIKey is DTFPIHHUJZTVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-14(17-10-12-7-9-21-11-12)6-8-16-15(20)18-13-4-2-1-3-5-13/h7,9,11,13H,1-6,8,10H2,(H,17,19)(H2,16,18,20).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(furan-3-ylmethyl)propanamide is sourced from PubChem (CID 47056473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).