N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide

C16H23N3O2 — CID 66370506

IUPACN-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H23N3O2/c1-11(17-2)12-4-3-5-13(8-12)18-16(20)19-9-14-6-7-15(10-19)21-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyPQLFTAQHVYBJTM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds3

About N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide

N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 66370506) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID66370506
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H23N3O2/c1-11(17-2)12-4-3-5-13(8-12)18-16(20)19-9-14-6-7-15(10-19)21-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyPQLFTAQHVYBJTM-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 114799612
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[3-[1-(methylamino)ethyl]phenyl]-1,4-thiazepane-4-carboxamide
CID 61423384
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
2-hydroxy-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66369326

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 66370506) is N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is CNC(C)c1cccc(NC(=O)N2CC3CCC(C2)O3)c1.
What is the InChIKey of N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is PQLFTAQHVYBJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(17-2)12-4-3-5-13(8-12)18-16(20)19-9-14-6-7-15(10-19)21-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 66370506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).