N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

C24H31N3O6 — CID 142969955

IUPACN-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3(C(=O)NCCO)CCCC3)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C24H31N3O6/c1-32-18-8-7-16-15-17(22(30)27-12-5-2-6-14-33-20(18)19(16)27)21(29)26-24(9-3-4-10-24)23(31)25-11-13-28/h7-8,15,28H,2-6,9-14H2,1H3,(H,25,31)(H,26,29)
InChIKeyLZUJSZIPNKEXOE-UHFFFAOYSA-N
MW457.53 g/mol
LogP1.72
Rot. Bonds6

About N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (PubChem CID 142969955) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
PubChem CID142969955
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3(C(=O)NCCO)CCCC3)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C24H31N3O6/c1-32-18-8-7-16-15-17(22(30)27-12-5-2-6-14-33-20(18)19(16)27)21(29)26-24(9-3-4-10-24)23(31)25-11-13-28/h7-8,15,28H,2-6,9-14H2,1H3,(H,25,31)(H,26,29)
InChIKeyLZUJSZIPNKEXOE-UHFFFAOYSA-N
XLogP1.72
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide with MolForge

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Related Compounds

methyl 1-[(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraene-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970105
N-[1-(hydroxymethyl)cycloheptyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 11212522
N-(1,3-dihydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142970113
N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142969965
N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142970074
N-(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraen-3-yl)-3,3-dimethylbutanamide
CID 142969986
N-tert-butyl-8-methoxy-2-oxospiro[10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-13,1'-cyclopentane]-3-carboxamide
CID 11361947
N-(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraen-3-yl)-4-methylbenzenesulfonamide
CID 11441379
4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
CID 118780861
1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 142970273
methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970265
N-(1,3-benzodioxol-5-ylmethyl)-2-(hydroxymethyl)-6-methoxy-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 11475768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (CID 142969955) is N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is COc1ccc2cc(C(=O)NC3(C(=O)NCCO)CCCC3)c(=O)n3c2c1OCCCCC3.
What is the InChIKey of N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The InChIKey is LZUJSZIPNKEXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-32-18-8-7-16-15-17(22(30)27-12-5-2-6-14-33-20(18)19(16)27)21(29)26-24(9-3-4-10-24)23(31)25-11-13-28/h7-8,15,28H,2-6,9-14H2,1H3,(H,25,31)(H,26,29).
What are the key properties of N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 142969955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).