3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide

C16H27N5O2 — CID 91798359

IUPAC3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCN1CCCCCC1=O
InChIInChI=1S/C16H27N5O2/c1-13(2)21-12-18-19-14(21)7-9-17-15(22)8-11-20-10-5-3-4-6-16(20)23/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyMGGRHNGFMXBNGT-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.31
Rot. Bonds7

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

3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 91798359) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID91798359
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCN1CCCCCC1=O
InChIInChI=1S/C16H27N5O2/c1-13(2)21-12-18-19-14(21)7-9-17-15(22)8-11-20-10-5-3-4-6-16(20)23/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyMGGRHNGFMXBNGT-UHFFFAOYSA-N
XLogP1.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 53504233
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
1-[3-(Azepan-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71894068
1-[2-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]azepan-2-one
CID 72837808
4,4,4-trifluoro-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 118778679
4-azepan-1-yl-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-4-oxobutanamide
CID 129610271
2-[5-[2-(2-Oxoazepan-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131900976
4-acetyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 53514999
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 74244844
N~1~-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-L-norvalinamide
CID 118774494
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-(2-oxoazepan-1-yl)acetamide
CID 118794619

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 91798359) is 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide is CC(C)n1cnnc1CCNC(=O)CCN1CCCCCC1=O.
What is the InChIKey of 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is MGGRHNGFMXBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(2)21-12-18-19-14(21)7-9-17-15(22)8-11-20-10-5-3-4-6-16(20)23/h12-13H,3-11H2,1-2H3,(H,17,22).
What are the key properties of 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 321.43 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoazepan-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 91798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).