N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide

C20H25N3O3 — CID 54839172

IUPACN-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(25)15-9-11-16(12-10-15)22-13-19(24)23-17-7-5-6-8-18(17)26-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyMYCUGGYAABQZDR-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.27
Rot. Bonds8

About N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide

N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (PubChem CID 54839172) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
PubChem CID54839172
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(25)15-9-11-16(12-10-15)22-13-19(24)23-17-7-5-6-8-18(17)26-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyMYCUGGYAABQZDR-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54822042
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (CID 54839172) is N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The InChIKey is MYCUGGYAABQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-21-20(25)15-9-11-16(12-10-15)22-13-19(24)23-17-7-5-6-8-18(17)26-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54839172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).