(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide

C11H18N4O2 — CID 94456522

IUPAC(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](C)n1ccnc1
InChIInChI=1S/C11H18N4O2/c1-4-14(7-10(16)12-3)11(17)9(2)15-6-5-13-8-15/h5-6,8-9H,4,7H2,1-3H3,(H,12,16)/t9-/m1/s1
InChIKeyMLAXEPWVJQOJAM-SECBINFHSA-N
MW238.29 g/mol
LogP0.04
Rot. Bonds5

About (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide

(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 94456522) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID94456522
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](C)n1ccnc1
InChIInChI=1S/C11H18N4O2/c1-4-14(7-10(16)12-3)11(17)9(2)15-6-5-13-8-15/h5-6,8-9H,4,7H2,1-3H3,(H,12,16)/t9-/m1/s1
InChIKeyMLAXEPWVJQOJAM-SECBINFHSA-N
XLogP0.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
CID 3122124
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
1-Ethyl-3-methylimidazolium (S)-2-aminopropionate
CID 55270442
N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide
CID 5284659
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 2969946
(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 94456522) is (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide is CCN(CC(=O)NC)C(=O)[C@@H](C)n1ccnc1.
What is the InChIKey of (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is MLAXEPWVJQOJAM-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-14(7-10(16)12-3)11(17)9(2)15-6-5-13-8-15/h5-6,8-9H,4,7H2,1-3H3,(H,12,16)/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide?
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 94456522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).