3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide

C18H26N2O5 — CID 113130194

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCC2CCCO2)C(C)=O)cc1OC
InChIInChI=1S/C18H26N2O5/c1-13(21)20(14-6-7-16(23-2)17(11-14)24-3)9-8-18(22)19-12-15-5-4-10-25-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,19,22)
InChIKeyDXBIZFQGCPKVHN-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds8

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113130194) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113130194
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCC2CCCO2)C(C)=O)cc1OC
InChIInChI=1S/C18H26N2O5/c1-13(21)20(14-6-7-16(23-2)17(11-14)24-3)9-8-18(22)19-12-15-5-4-10-25-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,19,22)
InChIKeyDXBIZFQGCPKVHN-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113128368
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165315
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 113130194) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(N(CCC(=O)NCC2CCCO2)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is DXBIZFQGCPKVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(21)20(14-6-7-16(23-2)17(11-14)24-3)9-8-18(22)19-12-15-5-4-10-25-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,19,22).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113130194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).