N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide

C28H33N3O3 — CID 71063959

IUPACN,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCOCCNC(=O)CN(C)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C28H33N3O3/c1-30(22-27(32)29-17-18-34-2)19-25-13-15-26(16-14-25)28(33)31(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-16H,17-22H2,1-2H3,(H,29,32)
InChIKeyBKGUGOOGLCNPBV-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.72
Rot. Bonds12

About N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide

N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide (PubChem CID 71063959) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
PubChem CID71063959
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCOCCNC(=O)CN(C)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C28H33N3O3/c1-30(22-27(32)29-17-18-34-2)19-25-13-15-26(16-14-25)28(33)31(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-16H,17-22H2,1-2H3,(H,29,32)
InChIKeyBKGUGOOGLCNPBV-UHFFFAOYSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
4-[[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125724
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The IUPAC name of N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide (CID 71063959) is N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The canonical SMILES for N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide is COCCNC(=O)CN(C)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The InChIKey is BKGUGOOGLCNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-30(22-27(32)29-17-18-34-2)19-25-13-15-26(16-14-25)28(33)31(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-16H,17-22H2,1-2H3,(H,29,32).
What are the key properties of N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 71063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).