N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide

C14H21NO3 — CID 133179091

IUPACN-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(COC)c1
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11-6-7-13(18-4)12(8-11)9-17-3/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyZUBPFANCBGHWKQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.37
Rot. Bonds6

About N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide

N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide (PubChem CID 133179091) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
PubChem CID133179091
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(COC)c1
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11-6-7-13(18-4)12(8-11)9-17-3/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyZUBPFANCBGHWKQ-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
CID 133179107
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide?
The IUPAC name of N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide (CID 133179091) is N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide is CCC(C)NC(=O)c1ccc(OC)c(COC)c1.
What is the InChIKey of N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide?
The InChIKey is ZUBPFANCBGHWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11-6-7-13(18-4)12(8-11)9-17-3/h6-8,10H,5,9H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide?
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide is sourced from PubChem (CID 133179091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).