N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide

C15H22N2O4 — CID 113061146

IUPACN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-15(19)16-8-9-17(11(2)18)13-10-12(20-3)6-7-14(13)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyOQGSWGMQFVXULH-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide

N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide (PubChem CID 113061146) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
PubChem CID113061146
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-15(19)16-8-9-17(11(2)18)13-10-12(20-3)6-7-14(13)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyOQGSWGMQFVXULH-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
N-(2,5-dimethoxyphenyl)-N-(trimethylsilyloxymethyl)acetamide
CID 10685433
methyl 3-[acetyl-[2-(propanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062084
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide?
The IUPAC name of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide (CID 113061146) is N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide.
What is the SMILES notation for N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide?
The canonical SMILES for N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide is CCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide?
The InChIKey is OQGSWGMQFVXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-15(19)16-8-9-17(11(2)18)13-10-12(20-3)6-7-14(13)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide?
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide is sourced from PubChem (CID 113061146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).