3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H33ClN2O4 — CID 119749079

IUPAC3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C17H32N2O4.ClH/c1-11(2)23-7-6-22-10-14(20)9-19(3)17(21)15-12-4-5-13(8-12)16(15)18;/h11-16,20H,4-10,18H2,1-3H3;1H
InChIKeyPHVJRKRLFNXQHN-UHFFFAOYSA-N
MW364.91 g/mol
LogP1.04
Rot. Bonds9

About 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119749079) has the molecular formula C17H33ClN2O4 and a molecular weight of 364.91 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119749079
Molecular FormulaC17H33ClN2O4
Molecular Weight364.91 g/mol
Exact Mass364.21
IUPAC Name3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C17H32N2O4.ClH/c1-11(2)23-7-6-22-10-14(20)9-19(3)17(21)15-12-4-5-13(8-12)16(15)18;/h11-16,20H,4-10,18H2,1-3H3;1H
InChIKeyPHVJRKRLFNXQHN-UHFFFAOYSA-N
XLogP1.04
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.91
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752879
N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide
CID 119749096
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
CID 116580735
(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
CID 119303457
1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119303454
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114236969
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
3-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119818597
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766866

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119749079) is 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(C)OCCOCC(O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is PHVJRKRLFNXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4.ClH/c1-11(2)23-7-6-22-10-14(20)9-19(3)17(21)15-12-4-5-13(8-12)16(15)18;/h11-16,20H,4-10,18H2,1-3H3;1H.
What are the key properties of 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 364.91 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119749079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).