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

C16H24N2O4 — CID 113061147

IUPACN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24N2O4/c1-5-6-16(20)17-9-10-18(12(2)19)14-11-13(21-3)7-8-15(14)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyKGZFVKOKFXGAGB-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.97
Rot. Bonds8

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

N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide (PubChem CID 113061147) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
PubChem CID113061147
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24N2O4/c1-5-6-16(20)17-9-10-18(12(2)19)14-11-13(21-3)7-8-15(14)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyKGZFVKOKFXGAGB-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide?
The IUPAC name of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide (CID 113061147) is N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide?
The canonical SMILES for N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide is CCCC(=O)NCCN(C(C)=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide?
The InChIKey is KGZFVKOKFXGAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-6-16(20)17-9-10-18(12(2)19)14-11-13(21-3)7-8-15(14)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide?
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide has a molecular weight of 308.38 g/mol, XLogP of 1.97, 8 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]butanamide is sourced from PubChem (CID 113061147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).