3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H26N2O3 — CID 119713684

IUPAC3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H26N2O3/c20-18-13-7-6-12(9-13)17(18)19(22)21-14-3-1-4-15(10-14)24-11-16-5-2-8-23-16/h1,3-4,10,12-13,16-18H,2,5-9,11,20H2,(H,21,22)
InChIKeyPJDWIFYYNVTBDV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119713684) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119713684
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H26N2O3/c20-18-13-7-6-12(9-13)17(18)19(22)21-14-3-1-4-15(10-14)24-11-16-5-2-8-23-16/h1,3-4,10,12-13,16-18H,2,5-9,11,20H2,(H,21,22)
InChIKeyPJDWIFYYNVTBDV-UHFFFAOYSA-N
XLogP2.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 98600366
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119713684) is 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PJDWIFYYNVTBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c20-18-13-7-6-12(9-13)17(18)19(22)21-14-3-1-4-15(10-14)24-11-16-5-2-8-23-16/h1,3-4,10,12-13,16-18H,2,5-9,11,20H2,(H,21,22).
What are the key properties of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119713684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).