5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide

C14H21N3O2 — CID 102705069

IUPAC5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H21N3O2/c1-5-16-13(18)10(4)17-14(19)11-7-12(15)9(3)6-8(11)2/h6-7,10H,5,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIJMKACUJMIOYHU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide (PubChem CID 102705069) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
PubChem CID102705069
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H21N3O2/c1-5-16-13(18)10(4)17-14(19)11-7-12(15)9(3)6-8(11)2/h6-7,10H,5,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIJMKACUJMIOYHU-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide (CID 102705069) is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide is CCNC(=O)C(C)NC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The InChIKey is IJMKACUJMIOYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-16-13(18)10(4)17-14(19)11-7-12(15)9(3)6-8(11)2/h6-7,10H,5,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).