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

C18H27ClN4O2 — CID 120987099

IUPAC9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C18H26N4O2.ClH/c19-16-12-4-2-5-13(16)9-14(8-12)17(23)21-10-11-3-1-6-15(7-11)22-18(20)24;/h1,3,6-7,12-14,16H,2,4-5,8-10,19H2,(H,21,23)(H3,20,22,24);1H
InChIKeyLUZQLPFYFHWNQW-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.37
Rot. Bonds4

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

9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120987099) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120987099
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C18H26N4O2.ClH/c19-16-12-4-2-5-13(16)9-14(8-12)17(23)21-10-11-3-1-6-15(7-11)22-18(20)24;/h1,3,6-7,12-14,16H,2,4-5,8-10,19H2,(H,21,23)(H3,20,22,24);1H
InChIKeyLUZQLPFYFHWNQW-UHFFFAOYSA-N
XLogP2.37
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
9-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986011
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120987099) is 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC(=O)Nc1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1.
What is the InChIKey of 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is LUZQLPFYFHWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c19-16-12-4-2-5-13(16)9-14(8-12)17(23)21-10-11-3-1-6-15(7-11)22-18(20)24;/h1,3,6-7,12-14,16H,2,4-5,8-10,19H2,(H,21,23)(H3,20,22,24);1H.
What are the key properties of 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.37, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).