N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide

About N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide (PubChem CID 76573950) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide.

Molecular Properties

Compound Name	N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
PubChem CID	76573950
Molecular Formula	C24H34N2O6
Molecular Weight	446.54 g/mol
Exact Mass	446.24
IUPAC Name	N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
SMILES	CC(C)CC(NC(=O)C(CO)NC(=O)C1CCc2ccccc2CC1)C(=O)C1(CO)CO1
InChI	InChI=1S/C24H34N2O6/c1-15(2)11-19(21(29)24(13-28)14-32-24)25-23(31)20(12-27)26-22(30)18-9-7-16-5-3-4-6-17(16)8-10-18/h3-6,15,18-20,27-28H,7-14H2,1-2H3,(H,25,31)(H,26,30)
InChIKey	IPOXFHMXISKMGX-UHFFFAOYSA-N
XLogP	0.52
TPSA	128.26 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.54
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide?

The IUPAC name of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide (CID 76573950) is N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide.

What is the SMILES notation for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide?

The canonical SMILES for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide is CC(C)CC(NC(=O)C(CO)NC(=O)C1CCc2ccccc2CC1)C(=O)C1(CO)CO1.

What is the InChIKey of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide?

The InChIKey is IPOXFHMXISKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-15(2)11-19(21(29)24(13-28)14-32-24)25-23(31)20(12-27)26-22(30)18-9-7-16-5-3-4-6-17(16)8-10-18/h3-6,15,18-20,27-28H,7-14H2,1-2H3,(H,25,31)(H,26,30).

What are the key properties of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide?

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 0.52, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide is sourced from PubChem (CID 76573950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).