4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide

C21H27N3O2 — CID 8692819

IUPAC4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26)
InChIKeyKGSWLGGSFIFPTF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds8

About 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide

4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide (PubChem CID 8692819) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
PubChem CID8692819
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26)
InChIKeyKGSWLGGSFIFPTF-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8692818
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125581
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide (CID 8692819) is 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide is CCN(CC)C(=O)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide?
The InChIKey is KGSWLGGSFIFPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26).
What are the key properties of 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide?
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 8692819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).