N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide

C13H24N2O2 — CID 114105361

IUPACN-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
SMILESCC1OCCC1CNC(=O)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-12(6-9-17-11)10-14-13(16)15-7-4-2-3-5-8-15/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyLAQHFPSOGDGIGP-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds2

About N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide

N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide (PubChem CID 114105361) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
PubChem CID114105361
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
SMILESCC1OCCC1CNC(=O)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-12(6-9-17-11)10-14-13(16)15-7-4-2-3-5-8-15/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyLAQHFPSOGDGIGP-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684
N-[[2-(hydroxymethyl)cyclohexyl]methyl]piperidine-1-carboxamide
CID 79156081
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide
CID 131015392
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817
1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013023
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide (CID 114105361) is N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide is CC1OCCC1CNC(=O)N1CCCCCC1.
What is the InChIKey of N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide?
The InChIKey is LAQHFPSOGDGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-12(6-9-17-11)10-14-13(16)15-7-4-2-3-5-8-15/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide?
N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 114105361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).