2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide

C38H59N15O7S — CID 157416754

IUPAC2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide
SMILESCN(C)C(=O)CNC=O.CN(C=O)Cc1cnn(C)c1.Cn1ccnc1CNC=O.Cn1cncc1CNC=O.O=CNCCCn1ccnc1.O=CNCCc1cccs1
InChIInChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.C5H10N2O2/c1-9(6-11)4-7-3-8-10(2)5-7;11-7-9-2-1-4-10-5-3-8-6-10;9-6-8-4-3-7-2-1-5-10-7;1-9-4-7-2-6(9)3-8-5-10;1-9-3-2-8-6(9)4-7-5-10;1-7(2)5(9)3-6-4-8/h3,5-6H,4H2,1-2H3;3,5-7H,1-2,4H2,(H,9,11);1-2,5-6H,3-4H2,(H,8,9);2,4-5H,3H2,1H3,(H,8,10);2-3,5H,4H2,1H3,(H,7,10);4H,3H2,1-2H3,(H,6,8)
InChIKeyBOXZDGSEJLBWNI-UHFFFAOYSA-N
MW870.05 g/mol
LogP-0.78
Rot. Bonds21

About 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide

2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide (PubChem CID 157416754) has the molecular formula C38H59N15O7S and a molecular weight of 870.05 g/mol. Its IUPAC name is 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide.

Molecular Properties

Compound Name2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide
PubChem CID157416754
Molecular FormulaC38H59N15O7S
Molecular Weight870.05 g/mol
Exact Mass869.44
IUPAC Name2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide
SMILESCN(C)C(=O)CNC=O.CN(C=O)Cc1cnn(C)c1.Cn1ccnc1CNC=O.Cn1cncc1CNC=O.O=CNCCCn1ccnc1.O=CNCCc1cccs1
InChIInChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.C5H10N2O2/c1-9(6-11)4-7-3-8-10(2)5-7;11-7-9-2-1-4-10-5-3-8-6-10;9-6-8-4-3-7-2-1-5-10-7;1-9-4-7-2-6(9)3-8-5-10;1-9-3-2-8-6(9)4-7-5-10;1-7(2)5(9)3-6-4-8/h3,5-6H,4H2,1-2H3;3,5-7H,1-2,4H2,(H,9,11);1-2,5-6H,3-4H2,(H,8,9);2,4-5H,3H2,1H3,(H,8,10);2-3,5H,4H2,1H3,(H,7,10);4H,3H2,1-2H3,(H,6,8)
InChIKeyBOXZDGSEJLBWNI-UHFFFAOYSA-N
XLogP-0.78
TPSA257.40 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.05
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide?
The IUPAC name of 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide (CID 157416754) is 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide.
What is the SMILES notation for 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide?
The canonical SMILES for 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide is CN(C)C(=O)CNC=O.CN(C=O)Cc1cnn(C)c1.Cn1ccnc1CNC=O.Cn1cncc1CNC=O.O=CNCCCn1ccnc1.O=CNCCc1cccs1.
What is the InChIKey of 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide?
The InChIKey is BOXZDGSEJLBWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.C5H10N2O2/c1-9(6-11)4-7-3-8-10(2)5-7;11-7-9-2-1-4-10-5-3-8-6-10;9-6-8-4-3-7-2-1-5-10-7;1-9-4-7-2-6(9)3-8-5-10;1-9-3-2-8-6(9)4-7-5-10;1-7(2)5(9)3-6-4-8/h3,5-6H,4H2,1-2H3;3,5-7H,1-2,4H2,(H,9,11);1-2,5-6H,3-4H2,(H,8,9);2,4-5H,3H2,1H3,(H,8,10);2-3,5H,4H2,1H3,(H,7,10);4H,3H2,1-2H3,(H,6,8).
What are the key properties of 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide?
2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide has a molecular weight of 870.05 g/mol, XLogP of -0.78, 21 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N,N-dimethylacetamide;N-(3-imidazol-1-ylpropyl)formamide;N-[(1-methylimidazol-2-yl)methyl]formamide;N-[(3-methylimidazol-4-yl)methyl]formamide;N-methyl-N-[(1-methylpyrazol-4-yl)methyl]formamide;N-(2-thiophen-2-ylethyl)formamide is sourced from PubChem (CID 157416754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).