N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide

C31H30N2O4 — CID 10696531

IUPACN,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)(OCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C31H30N2O4/c34-29(32-22-26-15-7-2-8-16-26)31(21-25-13-5-1-6-14-25,36-23-27-17-9-3-10-18-27)30(35)33-37-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,32,34)(H,33,35)
InChIKeyKBUYNOOQXCQTKA-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.75
Rot. Bonds12

About N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide

N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide (PubChem CID 10696531) has the molecular formula C31H30N2O4 and a molecular weight of 494.59 g/mol. Its IUPAC name is N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide.

Molecular Properties

Compound NameN,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide
PubChem CID10696531
Molecular FormulaC31H30N2O4
Molecular Weight494.59 g/mol
Exact Mass494.22
IUPAC NameN,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)(OCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C31H30N2O4/c34-29(32-22-26-15-7-2-8-16-26)31(21-25-13-5-1-6-14-25,36-23-27-17-9-3-10-18-27)30(35)33-37-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,32,34)(H,33,35)
InChIKeyKBUYNOOQXCQTKA-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
N-benzyl-2-bromo-2,2-difluoroacetamide
CID 86212006
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
3-amino-N-benzyl-2,2-dimethoxypropanamide
CID 89307343
2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796
1-methyl-3-phenylmethoxyurea
CID 14227198
N-benzyl-2,2,2-trichloroacetamide;benzyl 2,2,2-trichloroethanimidate
CID 175728372

Frequently Asked Questions

What is the IUPAC name of N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide?
The IUPAC name of N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide (CID 10696531) is N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide.
What is the SMILES notation for N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide?
The canonical SMILES for N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide is O=C(NCc1ccccc1)C(Cc1ccccc1)(OCc1ccccc1)C(=O)NOCc1ccccc1.
What is the InChIKey of N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide?
The InChIKey is KBUYNOOQXCQTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4/c34-29(32-22-26-15-7-2-8-16-26)31(21-25-13-5-1-6-14-25,36-23-27-17-9-3-10-18-27)30(35)33-37-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,32,34)(H,33,35).
What are the key properties of N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide?
N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide has a molecular weight of 494.59 g/mol, XLogP of 4.75, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide is sourced from PubChem (CID 10696531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).