9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

C19H26N2O2 — CID 120985986

IUPAC9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NC1COc3ccccc3C1)C2
InChIInChI=1S/C19H26N2O2/c20-18-13-5-3-6-14(18)9-15(8-13)19(22)21-16-10-12-4-1-2-7-17(12)23-11-16/h1-2,4,7,13-16,18H,3,5-6,8-11,20H2,(H,21,22)
InChIKeyYNBUSJZOXNALAU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.26
Rot. Bonds2

About 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985986) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985986
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NC1COc3ccccc3C1)C2
InChIInChI=1S/C19H26N2O2/c20-18-13-5-3-6-14(18)9-15(8-13)19(22)21-16-10-12-4-1-2-7-17(12)23-11-16/h1-2,4,7,13-16,18H,3,5-6,8-11,20H2,(H,21,22)
InChIKeyYNBUSJZOXNALAU-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119734033
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 97083464
(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
CID 94800690
N-(3,4-dihydro-2H-chromen-3-yl)-1-propanoylpiperidine-2-carboxamide
CID 51090959
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120985986) is 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NC1COc3ccccc3C1)C2.
What is the InChIKey of 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is YNBUSJZOXNALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c20-18-13-5-3-6-14(18)9-15(8-13)19(22)21-16-10-12-4-1-2-7-17(12)23-11-16/h1-2,4,7,13-16,18H,3,5-6,8-11,20H2,(H,21,22).
What are the key properties of 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).