N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide

C13H17NO3 — CID 113344829

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H17NO3/c1-17-11-6-3-2-5-10(11)12(16)14-13(9-15)7-4-8-13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyCEQLXZJZORFEIP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide

N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide (PubChem CID 113344829) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
PubChem CID113344829
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H17NO3/c1-17-11-6-3-2-5-10(11)12(16)14-13(9-15)7-4-8-13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyCEQLXZJZORFEIP-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
2-methoxybenzohydrazide
CID 24051
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide (CID 113344829) is N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide?
The InChIKey is CEQLXZJZORFEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-11-6-3-2-5-10(11)12(16)14-13(9-15)7-4-8-13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide has a molecular weight of 235.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide is sourced from PubChem (CID 113344829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).