N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide

C10H18N2O3 — CID 112550660

IUPACN-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
SMILESNC(=O)CONC(=O)C1CCCCCC1
InChIInChI=1S/C10H18N2O3/c11-9(13)7-15-12-10(14)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13)(H,12,14)
InChIKeyKCZNHCUXVGNALH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.49
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide

N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide (PubChem CID 112550660) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
PubChem CID112550660
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
SMILESNC(=O)CONC(=O)C1CCCCCC1
InChIInChI=1S/C10H18N2O3/c11-9(13)7-15-12-10(14)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13)(H,12,14)
InChIKeyKCZNHCUXVGNALH-UHFFFAOYSA-N
XLogP0.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
CID 112674216
2-(cyclohexylcarbamoylamino)oxyacetamide
CID 112549830
2-(cyclopentylamino)oxyacetamide
CID 112639582
2-(cyclohexylmethylamino)oxyacetamide
CID 112672783
N-(2-amino-2-oxoethoxy)thiolane-2-carboxamide
CID 112551031
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
CID 103901237
(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
CID 103955972
N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide
CID 71877069
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide (CID 112550660) is N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide is NC(=O)CONC(=O)C1CCCCCC1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide?
The InChIKey is KCZNHCUXVGNALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-9(13)7-15-12-10(14)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide?
N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide has a molecular weight of 214.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide is sourced from PubChem (CID 112550660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).