13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide

About 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide

13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide (PubChem CID 143923263) has the molecular formula C37H51N3O4 and a molecular weight of 601.83 g/mol. Its IUPAC name is 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide.

Molecular Properties

Compound Name	13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide
PubChem CID	143923263
Molecular Formula	C37H51N3O4
Molecular Weight	601.83 g/mol
Exact Mass	601.39
IUPAC Name	13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide
SMILES	CNCCCCN(C)C(=O)C1=C(C)c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(O)OC(C)(C)C)cc3n2C1
InChI	InChI=1S/C37H51N3O4/c1-24-30-22-27(43-7)16-18-28(30)34-33(25-13-9-8-10-14-25)29-17-15-26(36(42)44-37(2,3)4)21-32(29)40(34)23-31(24)35(41)39(6)20-12-11-19-38-5/h15-18,21-22,25,36,38,42H,8-14,19-20,23H2,1-7H3
InChIKey	ASYRZBOCQAQIAU-UHFFFAOYSA-N
XLogP	7.42
TPSA	75.96 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.83
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide?

The IUPAC name of 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide (CID 143923263) is 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide.

What is the SMILES notation for 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide?

The canonical SMILES for 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide is CNCCCCN(C)C(=O)C1=C(C)c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(O)OC(C)(C)C)cc3n2C1.

What is the InChIKey of 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide?

The InChIKey is ASYRZBOCQAQIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N3O4/c1-24-30-22-27(43-7)16-18-28(30)34-33(25-13-9-8-10-14-25)29-17-15-26(36(42)44-37(2,3)4)21-32(29)40(34)23-31(24)35(41)39(6)20-12-11-19-38-5/h15-18,21-22,25,36,38,42H,8-14,19-20,23H2,1-7H3.

What are the key properties of 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide?

13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide has a molecular weight of 601.83 g/mol, XLogP of 7.42, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-10-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-methoxy-N,5-dimethyl-N-[4-(methylamino)butyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxamide is sourced from PubChem (CID 143923263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).