N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide

C13H20N4O2 — CID 77095355

IUPACN-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1ncc[nH]1
InChIInChI=1S/C13H20N4O2/c18-12(16-10-11-14-6-7-15-11)5-9-17-8-3-1-2-4-13(17)19/h6-7H,1-5,8-10H2,(H,14,15)(H,16,18)
InChIKeySIAVRPYEFWDYOR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.82
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide

N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 77095355) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide
PubChem CID77095355
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1ncc[nH]1
InChIInChI=1S/C13H20N4O2/c18-12(16-10-11-14-6-7-15-11)5-9-17-8-3-1-2-4-13(17)19/h6-7H,1-5,8-10H2,(H,14,15)(H,16,18)
InChIKeySIAVRPYEFWDYOR-UHFFFAOYSA-N
XLogP0.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide (CID 77095355) is N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide is O=C(CCN1CCCCCC1=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is SIAVRPYEFWDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(16-10-11-14-6-7-15-11)5-9-17-8-3-1-2-4-13(17)19/h6-7H,1-5,8-10H2,(H,14,15)(H,16,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide?
N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 77095355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).