5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

About 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 163155466) has the molecular formula C25H29N4O4- and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name	5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID	163155466
Molecular Formula	C25H29N4O4-
Molecular Weight	449.53 g/mol
Exact Mass	449.22
IUPAC Name	5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILES	CC(C)n1cc(CCC(=O)N2CC3CC(C2)c2ccc(N([O-])O)c(=O)n2C3)c2ccccc21
InChI	InChI=1S/C25H29N4O4/c1-16(2)27-15-18(20-5-3-4-6-22(20)27)7-10-24(30)26-12-17-11-19(14-26)21-8-9-23(29(32)33)25(31)28(21)13-17/h3-6,8-9,15-17,19,32H,7,10-14H2,1-2H3/q-1
InChIKey	SCDSZIXNQPYNMW-UHFFFAOYSA-N
XLogP	3.66
TPSA	93.77 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 163155466) is 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CC(C)n1cc(CCC(=O)N2CC3CC(C2)c2ccc(N([O-])O)c(=O)n2C3)c2ccccc21.

What is the InChIKey of 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is SCDSZIXNQPYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N4O4/c1-16(2)27-15-18(20-5-3-4-6-22(20)27)7-10-24(30)26-12-17-11-19(14-26)21-8-9-23(29(32)33)25(31)28(21)13-17/h3-6,8-9,15-17,19,32H,7,10-14H2,1-2H3/q-1.

What are the key properties of 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 449.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[hydroxy(oxido)amino]-11-[3-(1-propan-2-ylindol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 163155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).