9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H27ClN2O — CID 120984546

IUPAC9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCC(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O/c1-2-17(12-6-8-16(20)9-7-12)22-19(23)15-10-13-4-3-5-14(11-15)18(13)21/h6-9,13-15,17-18H,2-5,10-11,21H2,1H3,(H,22,23)
InChIKeyWUWWESYJVZQWHD-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.06
Rot. Bonds4

About 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120984546) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120984546
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCC(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O/c1-2-17(12-6-8-16(20)9-7-12)22-19(23)15-10-13-4-3-5-14(11-15)18(13)21/h6-9,13-15,17-18H,2-5,10-11,21H2,1H3,(H,22,23)
InChIKeyWUWWESYJVZQWHD-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120984546) is 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide is CCC(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1.
What is the InChIKey of 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WUWWESYJVZQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-2-17(12-6-8-16(20)9-7-12)22-19(23)15-10-13-4-3-5-14(11-15)18(13)21/h6-9,13-15,17-18H,2-5,10-11,21H2,1H3,(H,22,23).
What are the key properties of 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120984546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).