N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide

C17H29N5O2 — CID 155322328

IUPACN-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide
SMILESCCn1c(CCCNC(=O)CNC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C17H29N5O2/c1-2-22-15(20-21-17(22)13-5-6-13)4-3-9-18-16(23)12-19-14-7-10-24-11-8-14/h13-14,19H,2-12H2,1H3,(H,18,23)
InChIKeyRFGAKVWCRSVOJC-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.99
Rot. Bonds9

About N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide

N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide (PubChem CID 155322328) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide
PubChem CID155322328
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide
SMILESCCn1c(CCCNC(=O)CNC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C17H29N5O2/c1-2-22-15(20-21-17(22)13-5-6-13)4-3-9-18-16(23)12-19-14-7-10-24-11-8-14/h13-14,19H,2-12H2,1H3,(H,18,23)
InChIKeyRFGAKVWCRSVOJC-UHFFFAOYSA-N
XLogP0.99
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide?
The IUPAC name of N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide (CID 155322328) is N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide?
The canonical SMILES for N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide is CCn1c(CCCNC(=O)CNC2CCOCC2)nnc1C1CC1.
What is the InChIKey of N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide?
The InChIKey is RFGAKVWCRSVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-2-22-15(20-21-17(22)13-5-6-13)4-3-9-18-16(23)12-19-14-7-10-24-11-8-14/h13-14,19H,2-12H2,1H3,(H,18,23).
What are the key properties of N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide?
N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide is sourced from PubChem (CID 155322328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).