9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

C20H29N3O2 — CID 120990447

IUPAC9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C20H29N3O2/c1-23(13-18(24)22-12-14-6-3-2-4-7-14)20(25)17-10-15-8-5-9-16(11-17)19(15)21/h2-4,6-7,15-17,19H,5,8-13,21H2,1H3,(H,22,24)
InChIKeyCBSRBMKEZUPYHL-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.91
Rot. Bonds5

About 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990447) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990447
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C20H29N3O2/c1-23(13-18(24)22-12-14-6-3-2-4-7-14)20(25)17-10-15-8-5-9-16(11-17)19(15)21/h2-4,6-7,15-17,19H,5,8-13,21H2,1H3,(H,22,24)
InChIKeyCBSRBMKEZUPYHL-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983474
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (CID 120990447) is 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is CN(CC(=O)NCc1ccccc1)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CBSRBMKEZUPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-23(13-18(24)22-12-14-6-3-2-4-7-14)20(25)17-10-15-8-5-9-16(11-17)19(15)21/h2-4,6-7,15-17,19H,5,8-13,21H2,1H3,(H,22,24).
What are the key properties of 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).