N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide

C15H22N2O3 — CID 115695919

IUPACN-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCC(C)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)15(20)16-10-14(19)17(3)9-8-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,16,20)
InChIKeyZIVAWYGZGOXVAW-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.95
Rot. Bonds6

About N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide

N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 115695919) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID115695919
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCC(C)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)15(20)16-10-14(19)17(3)9-8-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,16,20)
InChIKeyZIVAWYGZGOXVAW-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide (CID 115695919) is N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)N(C)CCC(C)O)cc1.
What is the InChIKey of N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ZIVAWYGZGOXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)15(20)16-10-14(19)17(3)9-8-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,16,20).
What are the key properties of N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 115695919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).