N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide

C22H28N4O2 — CID 91762935

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H28N4O2/c27-14-19-24-25-20(26(19)18-8-9-18)15-12-17(13-15)23-21(28)22(10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,27H,4-5,8-14H2,(H,23,28)
InChIKeyGLULTCBRHGDOAX-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.98
Rot. Bonds6

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 91762935) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID91762935
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H28N4O2/c27-14-19-24-25-20(26(19)18-8-9-18)15-12-17(13-15)23-21(28)22(10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,27H,4-5,8-14H2,(H,23,28)
InChIKeyGLULTCBRHGDOAX-UHFFFAOYSA-N
XLogP2.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide (CID 91762935) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide is O=C(NC1CC(c2nnc(CO)n2C2CC2)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is GLULTCBRHGDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-14-19-24-25-20(26(19)18-8-9-18)15-12-17(13-15)23-21(28)22(10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,27H,4-5,8-14H2,(H,23,28).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 91762935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).