N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide

C19H27N3O4 — CID 91832617

IUPACN-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-6-7-16(17(10-15)26-2)21-18(23)8-9-22-11-13-4-3-5-14(12-22)20-19(13)24/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14+/m1/s1
InChIKeyNCDWTFWYKFYCAU-KGLIPLIRSA-N
MW361.44 g/mol
LogP1.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide (PubChem CID 91832617) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
PubChem CID91832617
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-6-7-16(17(10-15)26-2)21-18(23)8-9-22-11-13-4-3-5-14(12-22)20-19(13)24/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14+/m1/s1
InChIKeyNCDWTFWYKFYCAU-KGLIPLIRSA-N
XLogP1.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide (CID 91832617) is N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide is COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The InChIKey is NCDWTFWYKFYCAU-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-15-6-7-16(17(10-15)26-2)21-18(23)8-9-22-11-13-4-3-5-14(12-22)20-19(13)24/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14+/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide has a molecular weight of 361.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide is sourced from PubChem (CID 91832617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).