N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide

C22H27N3O3 — CID 34333863

IUPACN-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
SMILESCCN(Cc1cccc(NC(=O)CCNC(=O)c2ccccc2C)c1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-4-25(17(3)26)15-18-9-7-10-19(14-18)24-21(27)12-13-23-22(28)20-11-6-5-8-16(20)2/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyNJNSHEOUPJNASS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.12
Rot. Bonds8

About N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide

N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 34333863) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
PubChem CID34333863
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
SMILESCCN(Cc1cccc(NC(=O)CCNC(=O)c2ccccc2C)c1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-4-25(17(3)26)15-18-9-7-10-19(14-18)24-21(27)12-13-23-22(28)20-11-6-5-8-16(20)2/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyNJNSHEOUPJNASS-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
CID 46449017
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-(3-ethynylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46529788
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38807911
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide
CID 55761158
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 27160887

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide (CID 34333863) is N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide is CCN(Cc1cccc(NC(=O)CCNC(=O)c2ccccc2C)c1)C(C)=O.
What is the InChIKey of N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is NJNSHEOUPJNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-25(17(3)26)15-18-9-7-10-19(14-18)24-21(27)12-13-23-22(28)20-11-6-5-8-16(20)2/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 34333863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).