2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide

C14H22N2O3 — CID 84594579

IUPAC2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)c(CO)c1)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-12(16(2)3)14(18)15-11-6-7-13(19-4)10(8-11)9-17/h6-8,12,17H,5,9H2,1-4H3,(H,15,18)
InChIKeyVAGMJCRJAHOZQB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds6

About 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide

2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide (PubChem CID 84594579) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide
PubChem CID84594579
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)c(CO)c1)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-12(16(2)3)14(18)15-11-6-7-13(19-4)10(8-11)9-17/h6-8,12,17H,5,9H2,1-4H3,(H,15,18)
InChIKeyVAGMJCRJAHOZQB-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide (CID 84594579) is 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide is CCC(C(=O)Nc1ccc(OC)c(CO)c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide?
The InChIKey is VAGMJCRJAHOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-12(16(2)3)14(18)15-11-6-7-13(19-4)10(8-11)9-17/h6-8,12,17H,5,9H2,1-4H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide?
2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(hydroxymethyl)-4-methoxyphenyl]butanamide is sourced from PubChem (CID 84594579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).