N-benzyl-2-formamido-3-methoxypropanamide

C12H16N2O3 — CID 10879113

IUPACN-benzyl-2-formamido-3-methoxypropanamide
SMILESCOCC(NC=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-8-11(14-9-15)12(16)13-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyKTHBFAPBLPKOQW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.06
Rot. Bonds7

About N-benzyl-2-formamido-3-methoxypropanamide

N-benzyl-2-formamido-3-methoxypropanamide (PubChem CID 10879113) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-benzyl-2-formamido-3-methoxypropanamide.

Molecular Properties

Compound NameN-benzyl-2-formamido-3-methoxypropanamide
PubChem CID10879113
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-benzyl-2-formamido-3-methoxypropanamide
SMILESCOCC(NC=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-8-11(14-9-15)12(16)13-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyKTHBFAPBLPKOQW-UHFFFAOYSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-formamido-3-methoxypropanamide?
The IUPAC name of N-benzyl-2-formamido-3-methoxypropanamide (CID 10879113) is N-benzyl-2-formamido-3-methoxypropanamide.
What is the SMILES notation for N-benzyl-2-formamido-3-methoxypropanamide?
The canonical SMILES for N-benzyl-2-formamido-3-methoxypropanamide is COCC(NC=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-formamido-3-methoxypropanamide?
The InChIKey is KTHBFAPBLPKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-8-11(14-9-15)12(16)13-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-benzyl-2-formamido-3-methoxypropanamide?
N-benzyl-2-formamido-3-methoxypropanamide has a molecular weight of 236.27 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-formamido-3-methoxypropanamide is sourced from PubChem (CID 10879113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).