N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide

C14H24N2O3 — CID 122152111

IUPACN-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
SMILESCOC(C1CC1)C(C)NC(=O)C1CCCCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-9(13(19-2)10-7-8-10)15-14(18)11-5-3-4-6-12(17)16-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNFZKGXGCILLDKP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.97
Rot. Bonds5

About N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide

N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide (PubChem CID 122152111) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
PubChem CID122152111
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
SMILESCOC(C1CC1)C(C)NC(=O)C1CCCCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-9(13(19-2)10-7-8-10)15-14(18)11-5-3-4-6-12(17)16-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNFZKGXGCILLDKP-UHFFFAOYSA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-Dimethyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one
CID 20590249
1-(2-Hydroxypropyl)-6-methyl-3-(methylamino)azepan-2-one
CID 22984706
1-(2-Methoxyethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 22984709
1-(2-Methoxyethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 22984711
1-(2-Methoxyethyl)-6-methyl-3-(methylamino)azepan-2-one
CID 22984713
1-(2-Methoxyethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984714
1-(2-Methoxyethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984715
3-(2-Hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984887
5-(Methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984926
5-(Methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984927
5-(Methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984929
5-(Methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984930

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide (CID 122152111) is N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide is COC(C1CC1)C(C)NC(=O)C1CCCCC(=O)N1.
What is the InChIKey of N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide?
The InChIKey is NFZKGXGCILLDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(13(19-2)10-7-8-10)15-14(18)11-5-3-4-6-12(17)16-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide?
N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 122152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).