N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide

C25H26N4O3 — CID 54839088

IUPACN-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H26N4O3/c1-3-26-24(31)18-7-9-20(10-8-18)27-16-23(30)28-21-11-13-22(14-12-21)29-25(32)19-6-4-5-17(2)15-19/h4-15,27H,3,16H2,1-2H3,(H,26,31)(H,28,30)(H,29,32)
InChIKeyPZVVMZDPLHRXGU-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.05
Rot. Bonds8

About N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54839088) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
PubChem CID54839088
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H26N4O3/c1-3-26-24(31)18-7-9-20(10-8-18)27-16-23(30)28-21-11-13-22(14-12-21)29-25(32)19-6-4-5-17(2)15-19/h4-15,27H,3,16H2,1-2H3,(H,26,31)(H,28,30)(H,29,32)
InChIKeyPZVVMZDPLHRXGU-UHFFFAOYSA-N
XLogP4.05
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide (CID 54839088) is N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide is CCNC(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is PZVVMZDPLHRXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-26-24(31)18-7-9-20(10-8-18)27-16-23(30)28-21-11-13-22(14-12-21)29-25(32)19-6-4-5-17(2)15-19/h4-15,27H,3,16H2,1-2H3,(H,26,31)(H,28,30)(H,29,32).
What are the key properties of N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 4.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54839088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).