9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H29ClN2O — CID 120988072

IUPAC9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC1(c3ccccc3)CCC1)C2
InChIInChI=1S/C20H28N2O.ClH/c21-18-14-6-4-7-15(18)13-16(12-14)19(23)22-20(10-5-11-20)17-8-2-1-3-9-17;/h1-3,8-9,14-16,18H,4-7,10-13,21H2,(H,22,23);1H
InChIKeyNTPDMZYIYBWWIO-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.76
Rot. Bonds3

About 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988072) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120988072
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC1(c3ccccc3)CCC1)C2
InChIInChI=1S/C20H28N2O.ClH/c21-18-14-6-4-7-15(18)13-16(12-14)19(23)22-20(10-5-11-20)17-8-2-1-3-9-17;/h1-3,8-9,14-16,18H,4-7,10-13,21H2,(H,22,23);1H
InChIKeyNTPDMZYIYBWWIO-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990587
3-amino-N-(1-phenylcyclopentyl)cyclohexane-1-carboxamide
CID 119786235
N-(1-phenylcyclobutyl)piperidine-4-carboxamide
CID 110482320
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989527
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120989837
5-oxo-N-(1-phenylcyclobutyl)pyrrolidine-2-carboxamide
CID 110482244

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988072) is 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NC1(c3ccccc3)CCC1)C2.
What is the InChIKey of 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is NTPDMZYIYBWWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c21-18-14-6-4-7-15(18)13-16(12-14)19(23)22-20(10-5-11-20)17-8-2-1-3-9-17;/h1-3,8-9,14-16,18H,4-7,10-13,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).