N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide

C17H30N4O — CID 46958431

IUPACN-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CC(C)C(=O)NC(C)CN1CCCCCC1
InChIInChI=1S/C17H30N4O/c1-14(12-21-11-8-18-16(21)3)17(22)19-15(2)13-20-9-6-4-5-7-10-20/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,19,22)
InChIKeyZFUQJLBEIJNEON-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.21
Rot. Bonds6

About N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide

N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 46958431) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide
PubChem CID46958431
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CC(C)C(=O)NC(C)CN1CCCCCC1
InChIInChI=1S/C17H30N4O/c1-14(12-21-11-8-18-16(21)3)17(22)19-15(2)13-20-9-6-4-5-7-10-20/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,19,22)
InChIKeyZFUQJLBEIJNEON-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide (CID 46958431) is N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide is Cc1nccn1CC(C)C(=O)NC(C)CN1CCCCCC1.
What is the InChIKey of N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is ZFUQJLBEIJNEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(12-21-11-8-18-16(21)3)17(22)19-15(2)13-20-9-6-4-5-7-10-20/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide?
N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)propan-2-yl]-2-methyl-3-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 46958431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).