N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide

C15H22N2O3 — CID 108952045

IUPACN'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-5-9-17(2)15(19)11-14(18)16-12-7-6-8-13(10-12)20-3/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18)
InChIKeyUULDIERKZBRVAX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.28
Rot. Bonds7

About N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide

N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide (PubChem CID 108952045) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
PubChem CID108952045
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-5-9-17(2)15(19)11-14(18)16-12-7-6-8-13(10-12)20-3/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18)
InChIKeyUULDIERKZBRVAX-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The IUPAC name of N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide (CID 108952045) is N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The InChIKey is UULDIERKZBRVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-9-17(2)15(19)11-14(18)16-12-7-6-8-13(10-12)20-3/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18).
What are the key properties of N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide has a molecular weight of 278.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide is sourced from PubChem (CID 108952045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).