N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

C22H27N3O4 — CID 46582138

IUPACN-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H27N3O4/c1-5-25(14-20(26)24-18-7-6-8-19(12-18)29-4)21(27)13-23-22(28)17-10-15(2)9-16(3)11-17/h6-12H,5,13-14H2,1-4H3,(H,23,28)(H,24,26)
InChIKeyNWTVCQNZCYGGMB-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 46582138) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID46582138
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H27N3O4/c1-5-25(14-20(26)24-18-7-6-8-19(12-18)29-4)21(27)13-23-22(28)17-10-15(2)9-16(3)11-17/h6-12H,5,13-14H2,1-4H3,(H,23,28)(H,24,26)
InChIKeyNWTVCQNZCYGGMB-UHFFFAOYSA-N
XLogP2.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2,4-dichloro-N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 30839710
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-[(2S)-1-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 8012515
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 46582138) is N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is NWTVCQNZCYGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-5-25(14-20(26)24-18-7-6-8-19(12-18)29-4)21(27)13-23-22(28)17-10-15(2)9-16(3)11-17/h6-12H,5,13-14H2,1-4H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 46582138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).