N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide

C15H20N2O3 — CID 111696598

IUPACN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-5-12(8-11)14(19)16-9-13(18)17-10-15(20)6-3-7-15/h2,4-5,8,20H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAXSWRPIMYXKURS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.76
Rot. Bonds5

About N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 111696598) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
PubChem CID111696598
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-5-12(8-11)14(19)16-9-13(18)17-10-15(20)6-3-7-15/h2,4-5,8,20H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAXSWRPIMYXKURS-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 103848664
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
3-methyl-N-[2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51164327
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide (CID 111696598) is N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NCC2(O)CCC2)c1.
What is the InChIKey of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is AXSWRPIMYXKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-2-5-12(8-11)14(19)16-9-13(18)17-10-15(20)6-3-7-15/h2,4-5,8,20H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 111696598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).