N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

C15H25N5O3 — CID 118794619

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H25N5O3/c1-12(15-18-16-11-20(15)8-9-23-2)17-13(21)10-19-7-5-3-4-6-14(19)22/h11-12H,3-10H2,1-2H3,(H,17,21)
InChIKeyNIHVJBDHCAGKSX-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.50
Rot. Bonds7

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 118794619) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID118794619
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H25N5O3/c1-12(15-18-16-11-20(15)8-9-23-2)17-13(21)10-19-7-5-3-4-6-14(19)22/h11-12H,3-10H2,1-2H3,(H,17,21)
InChIKeyNIHVJBDHCAGKSX-UHFFFAOYSA-N
XLogP0.50
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide with MolForge

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Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71892934
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 71894045
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1-methyl-2-azepanecarboxamide
CID 72899620
2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 164638752
N~1~-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-L-norvalinamide
CID 118774494
N-[(3S)-1-methyl-2-oxoazepan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 167340053
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 43706298
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 43706315
7-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptanamide
CID 43706325
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 43706348
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45828938

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 118794619) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is COCCn1cnnc1C(C)NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is NIHVJBDHCAGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-12(15-18-16-11-20(15)8-9-23-2)17-13(21)10-19-7-5-3-4-6-14(19)22/h11-12H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 118794619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).