4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide

C31H42N2O3 — CID 76680770

IUPAC4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCCN(Cc1ccc2c(c1)CCC(N(C)C(=O)c1ccc(OCC3CC3)cc1)C2)CC1CCOCC1
InChIInChI=1S/C31H42N2O3/c1-3-33(20-23-14-16-35-17-15-23)21-25-6-7-28-19-29(11-8-27(28)18-25)32(2)31(34)26-9-12-30(13-10-26)36-22-24-4-5-24/h6-7,9-10,12-13,18,23-24,29H,3-5,8,11,14-17,19-22H2,1-2H3
InChIKeyMTSBLPMUKHEHLC-UHFFFAOYSA-N
MW490.69 g/mol
LogP5.35
Rot. Bonds10

About 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide

4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide (PubChem CID 76680770) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
PubChem CID76680770
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCCN(Cc1ccc2c(c1)CCC(N(C)C(=O)c1ccc(OCC3CC3)cc1)C2)CC1CCOCC1
InChIInChI=1S/C31H42N2O3/c1-3-33(20-23-14-16-35-17-15-23)21-25-6-7-28-19-29(11-8-27(28)18-25)32(2)31(34)26-9-12-30(13-10-26)36-22-24-4-5-24/h6-7,9-10,12-13,18,23-24,29H,3-5,8,11,14-17,19-22H2,1-2H3
InChIKeyMTSBLPMUKHEHLC-UHFFFAOYSA-N
XLogP5.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide 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-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide (CID 76680770) is 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide is CCN(Cc1ccc2c(c1)CCC(N(C)C(=O)c1ccc(OCC3CC3)cc1)C2)CC1CCOCC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The InChIKey is MTSBLPMUKHEHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O3/c1-3-33(20-23-14-16-35-17-15-23)21-25-6-7-28-19-29(11-8-27(28)18-25)32(2)31(34)26-9-12-30(13-10-26)36-22-24-4-5-24/h6-7,9-10,12-13,18,23-24,29H,3-5,8,11,14-17,19-22H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide has a molecular weight of 490.69 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide is sourced from PubChem (CID 76680770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).