3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide

C18H27N3O2 — CID 38166746

IUPAC3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)19-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-4-6-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyCOQZDERKXQNSFI-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.13
Rot. Bonds6

About 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 38166746) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID38166746
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)19-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-4-6-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyCOQZDERKXQNSFI-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 38166746) is 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is CC(C)NC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is COQZDERKXQNSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)19-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-4-6-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 38166746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).