formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

C14H24N4O4 — CID 154909512

IUPACformic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N(C)CCN1CCOCC1.O=CO
InChIInChI=1S/C13H22N4O2.CH2O2/c1-11-12(16(3)10-14-11)13(18)15(2)4-5-17-6-8-19-9-7-17;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyWJSIZNDXJPRWOG-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.17
Rot. Bonds4

About formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (PubChem CID 154909512) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
PubChem CID154909512
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Nameformic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N(C)CCN1CCOCC1.O=CO
InChIInChI=1S/C13H22N4O2.CH2O2/c1-11-12(16(3)10-14-11)13(18)15(2)4-5-17-6-8-19-9-7-17;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyWJSIZNDXJPRWOG-UHFFFAOYSA-N
XLogP-0.17
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311
N-methyl-4-(1-methylimidazol-2-yl)-N-(4-morpholin-4-ylbutyl)benzamide
CID 119068731
4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 56783436
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 123601424
N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232

Frequently Asked Questions

What is the IUPAC name of formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The IUPAC name of formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (CID 154909512) is formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is Cc1ncn(C)c1C(=O)N(C)CCN1CCOCC1.O=CO.
What is the InChIKey of formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The InChIKey is WJSIZNDXJPRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.CH2O2/c1-11-12(16(3)10-14-11)13(18)15(2)4-5-17-6-8-19-9-7-17;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 154909512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).