2-[(4-methoxyphenyl)methyl]butanediamide

C12H16N2O3 — CID 70065989

IUPAC2-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(CC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-2-8(3-5-10)6-9(12(14)16)7-11(13)15/h2-5,9H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyJGTUXFMAPVUKMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.21
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]butanediamide

2-[(4-methoxyphenyl)methyl]butanediamide (PubChem CID 70065989) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]butanediamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]butanediamide
PubChem CID70065989
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(CC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-2-8(3-5-10)6-9(12(14)16)7-11(13)15/h2-5,9H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyJGTUXFMAPVUKMS-UHFFFAOYSA-N
XLogP0.21
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]hexanediamide
CID 146373725
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898
2-[(4-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79418636
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
CID 142645741
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]butanediamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]butanediamide (CID 70065989) is 2-[(4-methoxyphenyl)methyl]butanediamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]butanediamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]butanediamide is COc1ccc(CC(CC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]butanediamide?
The InChIKey is JGTUXFMAPVUKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-4-2-8(3-5-10)6-9(12(14)16)7-11(13)15/h2-5,9H,6-7H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 2-[(4-methoxyphenyl)methyl]butanediamide?
2-[(4-methoxyphenyl)methyl]butanediamide has a molecular weight of 236.27 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]butanediamide is sourced from PubChem (CID 70065989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).