2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide

C16H25N3O2 — CID 61231079

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)C1CC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C16H25N3O2/c1-11(15-4-3-7-21-15)17-16(20)10-19(2)14-8-12-5-6-13(9-14)18-12/h3-4,7,11-14,18H,5-6,8-10H2,1-2H3,(H,17,20)
InChIKeyMQGROUWZJIDHDX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.67
Rot. Bonds5

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 61231079) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID61231079
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)C1CC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C16H25N3O2/c1-11(15-4-3-7-21-15)17-16(20)10-19(2)14-8-12-5-6-13(9-14)18-12/h3-4,7,11-14,18H,5-6,8-10H2,1-2H3,(H,17,20)
InChIKeyMQGROUWZJIDHDX-UHFFFAOYSA-N
XLogP1.67
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79118481
2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 98761112
N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
2-[cyclopropyl(3-hydroxypropyl)amino]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 95346543
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 111432073
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
CID 61230704
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79275070

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide (CID 61231079) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CN(C)C1CC2CCC(C1)N2)c1ccco1.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is MQGROUWZJIDHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(15-4-3-7-21-15)17-16(20)10-19(2)14-8-12-5-6-13(9-14)18-12/h3-4,7,11-14,18H,5-6,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 61231079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).