N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

C17H30ClN3O2 — CID 119456016

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCCC1)NCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H29N3O2.ClH/c21-16(8-12-4-2-1-3-5-12)18-11-17(22)20-15-9-13-6-7-14(10-15)19-13;/h12-15,19H,1-11H2,(H,18,21)(H,20,22);1H
InChIKeyYIDPEKYGQIBUKY-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 119456016) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
PubChem CID119456016
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCCC1)NCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H29N3O2.ClH/c21-16(8-12-4-2-1-3-5-12)18-11-17(22)20-15-9-13-6-7-14(10-15)19-13;/h12-15,19H,1-11H2,(H,18,21)(H,20,22);1H
InChIKeyYIDPEKYGQIBUKY-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methylcyclopentyl)acetamide
CID 119457969
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-cyclohexyl-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide
CID 120577076
N-(8-azabicyclo[3.2.1]octan-3-yl)cyclooctanecarboxamide
CID 65023449
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119457551
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
CID 119637051
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782238

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (CID 119456016) is N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is Cl.O=C(CC1CCCCC1)NCC(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is YIDPEKYGQIBUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c21-16(8-12-4-2-1-3-5-12)18-11-17(22)20-15-9-13-6-7-14(10-15)19-13;/h12-15,19H,1-11H2,(H,18,21)(H,20,22);1H.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119456016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).