N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C20H27N3O3 — CID 56800037

IUPACN-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CC3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H27N3O3/c1-21-19(24)15-3-4-18(26-2)17(10-15)22-20(25)23-11-14-6-12-5-13(7-14)9-16(23)8-12/h3-4,10,12-14,16H,5-9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOKMZDRGPFVDSGN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.10
Rot. Bonds3

About N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 56800037) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID56800037
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CC3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H27N3O3/c1-21-19(24)15-3-4-18(26-2)17(10-15)22-20(25)23-11-14-6-12-5-13(7-14)9-16(23)8-12/h3-4,10,12-14,16H,5-9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOKMZDRGPFVDSGN-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 49286489
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118771356
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
CID 118773925
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118760794
N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
CID 118878029
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 95877726

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 56800037) is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)N2CC3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is OKMZDRGPFVDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21-19(24)15-3-4-18(26-2)17(10-15)22-20(25)23-11-14-6-12-5-13(7-14)9-16(23)8-12/h3-4,10,12-14,16H,5-9,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 56800037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).