N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

C21H26N4O3 — CID 34078183

IUPACN-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CC)c2C)c1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)25-18-11-7-10-17(14(18)3)23-13-20(27)24-16-9-6-8-15(12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)
InChIKeyQAKXNCMHNUMREH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.14
Rot. Bonds8

About N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 34078183) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID34078183
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CC)c2C)c1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)25-18-11-7-10-17(14(18)3)23-13-20(27)24-16-9-6-8-15(12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)
InChIKeyQAKXNCMHNUMREH-UHFFFAOYSA-N
XLogP3.14
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (CID 34078183) is N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CC)c2C)c1.
What is the InChIKey of N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is QAKXNCMHNUMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-19(26)25-18-11-7-10-17(14(18)3)23-13-20(27)24-16-9-6-8-15(12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,27)(H,25,26).
What are the key properties of N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 34078183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).