9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

C18H26N2O2 — CID 120985468

IUPAC9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C18H26N2O2/c1-22-11-12-4-2-7-16(8-12)20-18(21)15-9-13-5-3-6-14(10-15)17(13)19/h2,4,7-8,13-15,17H,3,5-6,9-11,19H2,1H3,(H,20,21)
InChIKeyFAADEIGGOMLGMQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.93
Rot. Bonds4

About 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985468) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985468
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C18H26N2O2/c1-22-11-12-4-2-7-16(8-12)20-18(21)15-9-13-5-3-6-14(10-15)17(13)19/h2,4,7-8,13-15,17H,3,5-6,9-11,19H2,1H3,(H,20,21)
InChIKeyFAADEIGGOMLGMQ-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
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-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
9-amino-N-(3-prop-2-enoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987346
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120985468) is 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is COCc1cccc(NC(=O)C2CC3CCCC(C2)C3N)c1.
What is the InChIKey of 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is FAADEIGGOMLGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-11-12-4-2-7-16(8-12)20-18(21)15-9-13-5-3-6-14(10-15)17(13)19/h2,4,7-8,13-15,17H,3,5-6,9-11,19H2,1H3,(H,20,21).
What are the key properties of 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).