N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide

C21H27N3O2 — CID 51151803

IUPACN-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
SMILESCCN(CCNC(=O)CCNC(=O)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H27N3O2/c1-3-24(19-11-7-8-17(2)16-19)15-14-22-20(25)12-13-23-21(26)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZDZRUIQNTWHMJS-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.76
Rot. Bonds9

About N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide

N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide (PubChem CID 51151803) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
PubChem CID51151803
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
SMILESCCN(CCNC(=O)CCNC(=O)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H27N3O2/c1-3-24(19-11-7-8-17(2)16-19)15-14-22-20(25)12-13-23-21(26)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZDZRUIQNTWHMJS-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 134061332
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46684416
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47018637

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide (CID 51151803) is N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide is CCN(CCNC(=O)CCNC(=O)c1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is ZDZRUIQNTWHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-24(19-11-7-8-17(2)16-19)15-14-22-20(25)12-13-23-21(26)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide?
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 51151803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).