(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

C16H28N4O — CID 126432376

IUPAC(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)N(C)CCN1CCCCCC1
InChIInChI=1S/C16H28N4O/c1-14(20-11-8-17-15(20)2)16(21)18(3)12-13-19-9-6-4-5-7-10-19/h8,11,14H,4-7,9-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeyACJNBTNOVBXNPJ-AWEZNQCLSA-N
MW292.43 g/mol
LogP2.09
Rot. Bonds5

About (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126432376) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126432376
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)N(C)CCN1CCCCCC1
InChIInChI=1S/C16H28N4O/c1-14(20-11-8-17-15(20)2)16(21)18(3)12-13-19-9-6-4-5-7-10-19/h8,11,14H,4-7,9-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeyACJNBTNOVBXNPJ-AWEZNQCLSA-N
XLogP2.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
CID 119058749
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
CID 119072009
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
(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
CID 126446714
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[(1-propylimidazol-2-yl)methyl]urea
CID 122560379
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132
N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]propanamide
CID 75430879
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (CID 126432376) is (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1[C@@H](C)C(=O)N(C)CCN1CCCCCC1.
What is the InChIKey of (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is ACJNBTNOVBXNPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14(20-11-8-17-15(20)2)16(21)18(3)12-13-19-9-6-4-5-7-10-19/h8,11,14H,4-7,9-10,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 292.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126432376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).