2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide

C19H23N3O3 — CID 56930800

IUPAC2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3
InChIInChI=1S/C19H23N3O3/c1-11(20)19(24)21-10-13-9-16(23)25-18-14-5-3-7-22-6-2-4-12(17(14)22)8-15(13)18/h8-9,11H,2-7,10,20H2,1H3,(H,21,24)
InChIKeyKSWWNJMPQNRRRE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide

2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide (PubChem CID 56930800) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide
PubChem CID56930800
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3
InChIInChI=1S/C19H23N3O3/c1-11(20)19(24)21-10-13-9-16(23)25-18-14-5-3-7-22-6-2-4-12(17(14)22)8-15(13)18/h8-9,11H,2-7,10,20H2,1H3,(H,21,24)
InChIKeyKSWWNJMPQNRRRE-UHFFFAOYSA-N
XLogP1.46
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide (CID 56930800) is 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide is CC(N)C(=O)NCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3.
What is the InChIKey of 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide?
The InChIKey is KSWWNJMPQNRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11(20)19(24)21-10-13-9-16(23)25-18-14-5-3-7-22-6-2-4-12(17(14)22)8-15(13)18/h8-9,11H,2-7,10,20H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide?
2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide is sourced from PubChem (CID 56930800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).