4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide

C29H38N2O3 — CID 58062332

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3(C)CCOCC3)cc2C1
InChIInChI=1S/C29H38N2O3/c1-29(11-13-33-14-12-29)20-30-18-22-5-6-24-16-26(17-25(24)15-22)31(2)28(32)23-7-9-27(10-8-23)34-19-21-3-4-21/h5-10,15,21,26,30H,3-4,11-14,16-20H2,1-2H3/t26-/m1/s1
InChIKeySIENHZGJQCDRBZ-AREMUKBSSA-N
MW462.63 g/mol
LogP4.62
Rot. Bonds9

About 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide

4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide (PubChem CID 58062332) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
PubChem CID58062332
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3(C)CCOCC3)cc2C1
InChIInChI=1S/C29H38N2O3/c1-29(11-13-33-14-12-29)20-30-18-22-5-6-24-16-26(17-25(24)15-22)31(2)28(32)23-7-9-27(10-8-23)34-19-21-3-4-21/h5-10,15,21,26,30H,3-4,11-14,16-20H2,1-2H3/t26-/m1/s1
InChIKeySIENHZGJQCDRBZ-AREMUKBSSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide (CID 58062332) is 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide is CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3(C)CCOCC3)cc2C1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide?
The InChIKey is SIENHZGJQCDRBZ-AREMUKBSSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-29(11-13-33-14-12-29)20-30-18-22-5-6-24-16-26(17-25(24)15-22)31(2)28(32)23-7-9-27(10-8-23)34-19-21-3-4-21/h5-10,15,21,26,30H,3-4,11-14,16-20H2,1-2H3/t26-/m1/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide has a molecular weight of 462.63 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide is sourced from PubChem (CID 58062332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).