N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide

C15H26N4O — CID 119072009

IUPACN-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCC(C(=O)N(C)CCN1CCCCCC1)n1ccnc1
InChIInChI=1S/C15H26N4O/c1-14(19-10-7-16-13-19)15(20)17(2)11-12-18-8-5-3-4-6-9-18/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyBYWUNKXEZRWRDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide

N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide (PubChem CID 119072009) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
PubChem CID119072009
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCC(C(=O)N(C)CCN1CCCCCC1)n1ccnc1
InChIInChI=1S/C15H26N4O/c1-14(19-10-7-16-13-19)15(20)17(2)11-12-18-8-5-3-4-6-9-18/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyBYWUNKXEZRWRDL-UHFFFAOYSA-N
XLogP1.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
CID 126432376
N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119066815
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
2-imidazol-1-ylpropanoic acid
CID 16788764
N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 126453961
2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 63210764
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 146274345
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide (CID 119072009) is N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide is CC(C(=O)N(C)CCN1CCCCCC1)n1ccnc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide?
The InChIKey is BYWUNKXEZRWRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(19-10-7-16-13-19)15(20)17(2)11-12-18-8-5-3-4-6-9-18/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide?
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 119072009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).