N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide

C15H23NO3 — CID 113091518

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-6-7-14(17)16-15(2,3)11-8-9-12(18-4)13(10-11)19-5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyPRLFQBVANDZRFG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide (PubChem CID 113091518) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
PubChem CID113091518
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-6-7-14(17)16-15(2,3)11-8-9-12(18-4)13(10-11)19-5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyPRLFQBVANDZRFG-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 113216584
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide (CID 113091518) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide is CCCC(=O)NC(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide?
The InChIKey is PRLFQBVANDZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-7-14(17)16-15(2,3)11-8-9-12(18-4)13(10-11)19-5/h8-10H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 113091518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).