N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide

C15H20N2O3 — CID 66005606

IUPACN-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-2-4-12(5-3-10)15(20)17-9-14(19)16-8-11-6-13(18)7-11/h2-5,11,13,18H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyQUFMRAUPRZPAFB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds5

About N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 66005606) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID66005606
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-2-4-12(5-3-10)15(20)17-9-14(19)16-8-11-6-13(18)7-11/h2-5,11,13,18H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyQUFMRAUPRZPAFB-UHFFFAOYSA-N
XLogP0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide (CID 66005606) is N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCC2CC(O)C2)cc1.
What is the InChIKey of N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is QUFMRAUPRZPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-2-4-12(5-3-10)15(20)17-9-14(19)16-8-11-6-13(18)7-11/h2-5,11,13,18H,6-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 66005606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).