N'-cycloheptyl-N-(2-methoxyethyl)oxamide

C12H22N2O3 — CID 2915783

IUPACN'-cycloheptyl-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c1-17-9-8-13-11(15)12(16)14-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyJKDPGOWFUWPMMH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds4

About N'-cycloheptyl-N-(2-methoxyethyl)oxamide

N'-cycloheptyl-N-(2-methoxyethyl)oxamide (PubChem CID 2915783) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-cycloheptyl-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(2-methoxyethyl)oxamide
PubChem CID2915783
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-cycloheptyl-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c1-17-9-8-13-11(15)12(16)14-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyJKDPGOWFUWPMMH-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-methoxyacetamide
CID 936430
N-cycloheptyl-2-formamidoacetamide
CID 3240875
2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide;hydrochloride
CID 16192838
N-cycloheptyl-N'-(3-methoxypropyl)ethanediamide
CID 2914308
N-cycloheptyl-N'-isopropylethanediamide
CID 2286863
N1-cycloheptyl-N2-(1-methoxypropan-2-yl)oxalamide
CID 45497336
(S)-2-(N-2-methoxyethylcarbamoylcarbonylamino)butane
CID 51896499
2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
CID 3229428
1-(Azepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 3229605
N-cycloheptyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6471078
(2S)-N-cyclohexyl-2-[(2-methoxyacetyl)amino]propanamide
CID 38406148
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47006248

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(2-methoxyethyl)oxamide (CID 2915783) is N'-cycloheptyl-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(2-methoxyethyl)oxamide?
The InChIKey is JKDPGOWFUWPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-9-8-13-11(15)12(16)14-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-cycloheptyl-N-(2-methoxyethyl)oxamide?
N'-cycloheptyl-N-(2-methoxyethyl)oxamide has a molecular weight of 242.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 2915783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).