N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide

C13H23NO2 — CID 115878103

IUPACN-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
SMILESO=C(NC1(CO)CCC1)C1CCCCCC1
InChIInChI=1S/C13H23NO2/c15-10-13(8-5-9-13)14-12(16)11-6-3-1-2-4-7-11/h11,15H,1-10H2,(H,14,16)
InChIKeyITORLCGEKZEYMT-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide

N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide (PubChem CID 115878103) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
PubChem CID115878103
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
SMILESO=C(NC1(CO)CCC1)C1CCCCCC1
InChIInChI=1S/C13H23NO2/c15-10-13(8-5-9-13)14-12(16)11-6-3-1-2-4-7-11/h11,15H,1-10H2,(H,14,16)
InChIKeyITORLCGEKZEYMT-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63006732
4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
CID 115878057
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-[3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-oxopropyl]cyclopentanecarboxamide
CID 62517380
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
1-cyclopentyl-N-[1-(hydroxymethyl)cyclobutyl]-5-oxopyrrolidine-3-carboxamide
CID 115877939
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide (CID 115878103) is N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide is O=C(NC1(CO)CCC1)C1CCCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide?
The InChIKey is ITORLCGEKZEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-13(8-5-9-13)14-12(16)11-6-3-1-2-4-7-11/h11,15H,1-10H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide?
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide is sourced from PubChem (CID 115878103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).