5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide

C28H40N2O2 — CID 143046276

IUPAC5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
SMILESCCN(CCNC(=O)CCC(=O)Cc1c(C(C)C)cccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C28H40N2O2/c1-7-30(23-11-8-10-22(6)18-23)17-16-29-28(32)15-14-24(31)19-27-25(20(2)3)12-9-13-26(27)21(4)5/h8-13,18,20-21H,7,14-17,19H2,1-6H3,(H,29,32)
InChIKeySDAODXNMDBHOJR-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.78
Rot. Bonds12

About 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide

5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide (PubChem CID 143046276) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Name5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
PubChem CID143046276
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
SMILESCCN(CCNC(=O)CCC(=O)Cc1c(C(C)C)cccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C28H40N2O2/c1-7-30(23-11-8-10-22(6)18-23)17-16-29-28(32)15-14-24(31)19-27-25(20(2)3)12-9-13-26(27)21(4)5/h8-13,18,20-21H,7,14-17,19H2,1-6H3,(H,29,32)
InChIKeySDAODXNMDBHOJR-UHFFFAOYSA-N
XLogP5.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide?
The IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide (CID 143046276) is 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide.
What is the SMILES notation for 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide?
The canonical SMILES for 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide is CCN(CCNC(=O)CCC(=O)Cc1c(C(C)C)cccc1C(C)C)c1cccc(C)c1.
What is the InChIKey of 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide?
The InChIKey is SDAODXNMDBHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-7-30(23-11-8-10-22(6)18-23)17-16-29-28(32)15-14-24(31)19-27-25(20(2)3)12-9-13-26(27)21(4)5/h8-13,18,20-21H,7,14-17,19H2,1-6H3,(H,29,32).
What are the key properties of 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide?
5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide has a molecular weight of 436.64 g/mol, XLogP of 5.78, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 143046276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).