(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide

C16H28N4O2 — CID 124982186

IUPAC(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCCCc1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]1
InChIInChI=1S/C16H28N4O2/c1-5-6-7-14-17-10-13(18-14)11-20-8-9-22-16(2,12-20)15(21)19(3)4/h10H,5-9,11-12H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyMVJGQZOQDGULNP-MRXNPFEDSA-N
MW308.43 g/mol
LogP1.43
Rot. Bonds6

About (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide

(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide (PubChem CID 124982186) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
PubChem CID124982186
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCCCc1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]1
InChIInChI=1S/C16H28N4O2/c1-5-6-7-14-17-10-13(18-14)11-20-8-9-22-16(2,12-20)15(21)19(3)4/h10H,5-9,11-12H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyMVJGQZOQDGULNP-MRXNPFEDSA-N
XLogP1.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
CID 125019181
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
1-[4-[[4-[(2-butyl-1H-imidazol-5-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 118758853
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide (CID 124982186) is (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide is CCCCc1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]1.
What is the InChIKey of (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The InChIKey is MVJGQZOQDGULNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-6-7-14-17-10-13(18-14)11-20-8-9-22-16(2,12-20)15(21)19(3)4/h10H,5-9,11-12H2,1-4H3,(H,17,18)/t16-/m1/s1.
What are the key properties of (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124982186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).