N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide

C16H29N5O2 — CID 134053148

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CC)C(CNC(=O)CCn1cncn1)N1CCOCC1
InChIInChI=1S/C16H29N5O2/c1-3-14(4-2)15(20-7-9-23-10-8-20)11-18-16(22)5-6-21-13-17-12-19-21/h12-15H,3-11H2,1-2H3,(H,18,22)
InChIKeyXUAYCBAUARFYCK-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.92
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 134053148) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID134053148
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CC)C(CNC(=O)CCn1cncn1)N1CCOCC1
InChIInChI=1S/C16H29N5O2/c1-3-14(4-2)15(20-7-9-23-10-8-20)11-18-16(22)5-6-21-13-17-12-19-21/h12-15H,3-11H2,1-2H3,(H,18,22)
InChIKeyXUAYCBAUARFYCK-UHFFFAOYSA-N
XLogP0.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
6-acetamido-N-(3-ethyl-2-morpholin-4-ylpentyl)hexanamide
CID 55634041
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55634015
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099
2-(cyclopropylmethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 119841694
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
1-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 119841656
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55550446
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 134053148) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is CCC(CC)C(CNC(=O)CCn1cncn1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XUAYCBAUARFYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-3-14(4-2)15(20-7-9-23-10-8-20)11-18-16(22)5-6-21-13-17-12-19-21/h12-15H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 134053148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).