2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide

C15H24N4O3 — CID 127247698

IUPAC2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCC(C)c1nccn1CCC(=O)N1CCOC(C)(C(N)=O)C1
InChIInChI=1S/C15H24N4O3/c1-11(2)13-17-5-7-18(13)6-4-12(20)19-8-9-22-15(3,10-19)14(16)21/h5,7,11H,4,6,8-10H2,1-3H3,(H2,16,21)
InChIKeyPQFCYVNNGDMDAN-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.50
Rot. Bonds5

About 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide

2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide (PubChem CID 127247698) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
PubChem CID127247698
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCC(C)c1nccn1CCC(=O)N1CCOC(C)(C(N)=O)C1
InChIInChI=1S/C15H24N4O3/c1-11(2)13-17-5-7-18(13)6-4-12(20)19-8-9-22-15(3,10-19)14(16)21/h5,7,11H,4,6,8-10H2,1-3H3,(H2,16,21)
InChIKeyPQFCYVNNGDMDAN-UHFFFAOYSA-N
XLogP0.50
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125013810
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965772
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
CID 154754201
5-methyl-1'-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 133069717
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125004918
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 43793253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide?
The IUPAC name of 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide (CID 127247698) is 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide?
The canonical SMILES for 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide is CC(C)c1nccn1CCC(=O)N1CCOC(C)(C(N)=O)C1.
What is the InChIKey of 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide?
The InChIKey is PQFCYVNNGDMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)13-17-5-7-18(13)6-4-12(20)19-8-9-22-15(3,10-19)14(16)21/h5,7,11H,4,6,8-10H2,1-3H3,(H2,16,21).
What are the key properties of 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide?
2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 127247698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).