N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C20H24N4O3 — CID 54839505

IUPACN-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCC)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-21-19(26)14-5-9-16(10-6-14)23-13-18(25)24-17-11-7-15(8-12-17)20(27)22-4-2/h5-12,23H,3-4,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeySKZCBFKNKWKHIS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds8

About N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54839505) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54839505
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCC)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-21-19(26)14-5-9-16(10-6-14)23-13-18(25)24-17-11-7-15(8-12-17)20(27)22-4-2/h5-12,23H,3-4,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeySKZCBFKNKWKHIS-UHFFFAOYSA-N
XLogP2.24
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54839505) is N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is SKZCBFKNKWKHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-21-19(26)14-5-9-16(10-6-14)23-13-18(25)24-17-11-7-15(8-12-17)20(27)22-4-2/h5-12,23H,3-4,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25).
What are the key properties of N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54839505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).