(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide

C13H22N4O2 — CID 125443593

IUPAC(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide
SMILESCC[C@H](C(=O)NCCc1ncc[nH]1)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-2-11(17-7-9-19-10-8-17)13(18)16-4-3-12-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3,(H,14,15)(H,16,18)/t11-/m1/s1
InChIKeyGPFCMMHHLSNOHI-LLVKDONJSA-N
MW266.34 g/mol
LogP0.18
Rot. Bonds6

About (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide

(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide (PubChem CID 125443593) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide
PubChem CID125443593
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide
SMILESCC[C@H](C(=O)NCCc1ncc[nH]1)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-2-11(17-7-9-19-10-8-17)13(18)16-4-3-12-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3,(H,14,15)(H,16,18)/t11-/m1/s1
InChIKeyGPFCMMHHLSNOHI-LLVKDONJSA-N
XLogP0.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 115741079
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 115735316
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97002473
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
CID 119110866
N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 115668365
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011
2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 114103254
(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid
CID 104871763
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide?
The IUPAC name of (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide (CID 125443593) is (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide.
What is the SMILES notation for (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide?
The canonical SMILES for (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide is CC[C@H](C(=O)NCCc1ncc[nH]1)N1CCOCC1.
What is the InChIKey of (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide?
The InChIKey is GPFCMMHHLSNOHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-11(17-7-9-19-10-8-17)13(18)16-4-3-12-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3,(H,14,15)(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide?
(2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1H-imidazol-2-yl)ethyl]-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 125443593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).