3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide

C17H24N4O2 — CID 138034860

IUPAC3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)NC2CC23CCNCC3)c1
InChIInChI=1S/C17H24N4O2/c18-15(22)13-3-1-2-12(10-13)4-7-20-16(23)21-14-11-17(14)5-8-19-9-6-17/h1-3,10,14,19H,4-9,11H2,(H2,18,22)(H2,20,21,23)
InChIKeyKDFZDTTYRMXEIO-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.77
Rot. Bonds5

About 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide

3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide (PubChem CID 138034860) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
PubChem CID138034860
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)NC2CC23CCNCC3)c1
InChIInChI=1S/C17H24N4O2/c18-15(22)13-3-1-2-12(10-13)4-7-20-16(23)21-14-11-17(14)5-8-19-9-6-17/h1-3,10,14,19H,4-9,11H2,(H2,18,22)(H2,20,21,23)
InChIKeyKDFZDTTYRMXEIO-UHFFFAOYSA-N
XLogP0.77
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
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CID 95303687
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
CID 75419884
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
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(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 138034327
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
CID 56802993
3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
CID 71920831
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108900751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide (CID 138034860) is 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide is NC(=O)c1cccc(CCNC(=O)NC2CC23CCNCC3)c1.
What is the InChIKey of 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide?
The InChIKey is KDFZDTTYRMXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-15(22)13-3-1-2-12(10-13)4-7-20-16(23)21-14-11-17(14)5-8-19-9-6-17/h1-3,10,14,19H,4-9,11H2,(H2,18,22)(H2,20,21,23).
What are the key properties of 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide?
3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 138034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).