9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H30ClN3O2 — CID 120985581

IUPAC9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-12(2)19(24)22-16-7-4-8-17(11-16)23-20(25)15-9-13-5-3-6-14(10-15)18(13)21;/h4,7-8,11-15,18H,3,5-6,9-10,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyUTPKMFWBBKWFPI-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.80
Rot. Bonds4

About 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985581) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985581
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-12(2)19(24)22-16-7-4-8-17(11-16)23-20(25)15-9-13-5-3-6-14(10-15)18(13)21;/h4,7-8,11-15,18H,3,5-6,9-10,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyUTPKMFWBBKWFPI-UHFFFAOYSA-N
XLogP3.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[3-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
9-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985667
9-amino-N-(3-prop-2-enoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987346
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986715
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985581) is 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)C(=O)Nc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1.Cl.
What is the InChIKey of 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is UTPKMFWBBKWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-12(2)19(24)22-16-7-4-8-17(11-16)23-20(25)15-9-13-5-3-6-14(10-15)18(13)21;/h4,7-8,11-15,18H,3,5-6,9-10,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).