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

C19H26N4O3 — CID 91830771

IUPACN-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1
InChIInChI=1S/C19H26N4O3/c1-13(24)20-15-5-3-6-16(10-15)21-18(25)8-9-23-11-14-4-2-7-17(12-23)22-19(14)26/h3,5-6,10,14,17H,2,4,7-9,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26)/t14-,17+/m1/s1
InChIKeyOMOQDWLABCTMBE-PBHICJAKSA-N
MW358.44 g/mol
LogP1.57
Rot. Bonds5

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

N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide (PubChem CID 91830771) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
PubChem CID91830771
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1
InChIInChI=1S/C19H26N4O3/c1-13(24)20-15-5-3-6-16(10-15)21-18(25)8-9-23-11-14-4-2-7-17(12-23)22-19(14)26/h3,5-6,10,14,17H,2,4,7-9,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26)/t14-,17+/m1/s1
InChIKeyOMOQDWLABCTMBE-PBHICJAKSA-N
XLogP1.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
CID 91832617
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N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide (CID 91830771) is N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
The InChIKey is OMOQDWLABCTMBE-PBHICJAKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(24)20-15-5-3-6-16(10-15)21-18(25)8-9-23-11-14-4-2-7-17(12-23)22-19(14)26/h3,5-6,10,14,17H,2,4,7-9,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26)/t14-,17+/m1/s1.
What are the key properties of N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide?
N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide is sourced from PubChem (CID 91830771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).