N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

C20H25N3O2 — CID 54844732

IUPACN-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)N(CC)c2ccccc2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-4-19(24)22-18-13-16(12-11-15(18)3)21-14-20(25)23(5-2)17-9-7-6-8-10-17/h6-13,21H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyAQKLLPJJEQWCLK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.81
Rot. Bonds7

About N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (PubChem CID 54844732) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
PubChem CID54844732
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)N(CC)c2ccccc2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-4-19(24)22-18-13-16(12-11-15(18)3)21-14-20(25)23(5-2)17-9-7-6-8-10-17/h6-13,21H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyAQKLLPJJEQWCLK-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (CID 54844732) is N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NCC(=O)N(CC)c2ccccc2)ccc1C.
What is the InChIKey of N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The InChIKey is AQKLLPJJEQWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-19(24)22-18-13-16(12-11-15(18)3)21-14-20(25)23(5-2)17-9-7-6-8-10-17/h6-13,21H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54844732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).