2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate

C29H41N3O4 — CID 11225687

IUPAC2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate
SMILESCCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1
InChIInChI=1S/C29H41N3O4/c1-8-32(9-2)23-13-14-25(21(5)17-23)30-27(33)29(31(6)28(34)36-19-20(3)4)16-15-22-11-10-12-26(35-7)24(22)18-29/h10-14,17,20H,8-9,15-16,18-19H2,1-7H3,(H,30,33)
InChIKeySPDXIPYMWPIIIY-UHFFFAOYSA-N
MW495.66 g/mol
LogP5.44
Rot. Bonds9

About 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate

2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate (PubChem CID 11225687) has the molecular formula C29H41N3O4 and a molecular weight of 495.66 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate
PubChem CID11225687
Molecular FormulaC29H41N3O4
Molecular Weight495.66 g/mol
Exact Mass495.31
IUPAC Name2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate
SMILESCCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1
InChIInChI=1S/C29H41N3O4/c1-8-32(9-2)23-13-14-25(21(5)17-23)30-27(33)29(31(6)28(34)36-19-20(3)4)16-15-22-11-10-12-26(35-7)24(22)18-29/h10-14,17,20H,8-9,15-16,18-19H2,1-7H3,(H,30,33)
InChIKeySPDXIPYMWPIIIY-UHFFFAOYSA-N
XLogP5.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate 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 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate (CID 11225687) is 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate is CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1.
What is the InChIKey of 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate?
The InChIKey is SPDXIPYMWPIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O4/c1-8-32(9-2)23-13-14-25(21(5)17-23)30-27(33)29(31(6)28(34)36-19-20(3)4)16-15-22-11-10-12-26(35-7)24(22)18-29/h10-14,17,20H,8-9,15-16,18-19H2,1-7H3,(H,30,33).
What are the key properties of 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate?
2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate has a molecular weight of 495.66 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate is sourced from PubChem (CID 11225687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).