N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide

C14H18N2O3 — CID 111539734

IUPACN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C14H18N2O3/c17-12(16-10-14(19)7-4-8-14)9-15-13(18)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H,15,18)(H,16,17)
InChIKeyJXYWFPCJUDNXLF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.45
Rot. Bonds5

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

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 111539734) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
PubChem CID111539734
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C14H18N2O3/c17-12(16-10-14(19)7-4-8-14)9-15-13(18)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H,15,18)(H,16,17)
InChIKeyJXYWFPCJUDNXLF-UHFFFAOYSA-N
XLogP0.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide (CID 111539734) is N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCC1(O)CCC1.
What is the InChIKey of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is JXYWFPCJUDNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12(16-10-14(19)7-4-8-14)9-15-13(18)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.45, 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]benzamide is sourced from PubChem (CID 111539734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).