N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide

C18H18N2O3 — CID 144953927

IUPACN-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide
SMILESCNC(=O)C(C(=O)N(C=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-19-17(22)16(15-10-6-3-7-11-15)18(23)20(13-21)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,19,22)
InChIKeyLMUOQBLJFQOQNQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.70
Rot. Bonds6

About N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide

N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide (PubChem CID 144953927) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide
PubChem CID144953927
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide
SMILESCNC(=O)C(C(=O)N(C=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-19-17(22)16(15-10-6-3-7-11-15)18(23)20(13-21)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,19,22)
InChIKeyLMUOQBLJFQOQNQ-UHFFFAOYSA-N
XLogP1.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
methyl (E)-2-[benzyl(formyl)amino]-3-hydroxyprop-2-enoate
CID 10999704
2-amino-N-benzyl-N-formylacetamide
CID 174343019
3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide
CID 139329226
(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
CID 139378805
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
methyl 2-[benzyl(methyl)amino]-3-(methylamino)-3-oxopropanoate
CID 71268170
benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid
CID 57371754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide?
The IUPAC name of N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide (CID 144953927) is N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide.
What is the SMILES notation for N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide?
The canonical SMILES for N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide is CNC(=O)C(C(=O)N(C=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide?
The InChIKey is LMUOQBLJFQOQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-17(22)16(15-10-6-3-7-11-15)18(23)20(13-21)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide?
N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide has a molecular weight of 310.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide is sourced from PubChem (CID 144953927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).