4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C14H21N3O2 — CID 63214027

IUPAC4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC)cc1C
InChIInChI=1S/C14H21N3O2/c1-4-16-12-6-5-11(9-10(12)2)14(19)17-8-7-13(18)15-3/h5-6,9,16H,4,7-8H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyXUANLHNBRDVWDN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds6

About 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 63214027) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID63214027
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC)cc1C
InChIInChI=1S/C14H21N3O2/c1-4-16-12-6-5-11(9-10(12)2)14(19)17-8-7-13(18)15-3/h5-6,9,16H,4,7-8H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyXUANLHNBRDVWDN-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
CID 113411061
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 63214027) is 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CCNc1ccc(C(=O)NCCC(=O)NC)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is XUANLHNBRDVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-12-6-5-11(9-10(12)2)14(19)17-8-7-13(18)15-3/h5-6,9,16H,4,7-8H2,1-3H3,(H,15,18)(H,17,19).
What are the key properties of 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 63214027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).