N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide

C31H38N2O2 — CID 19592121

IUPACN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C31H38N2O2/c1-3-21-33(28-18-19-29-27(23-28)12-9-13-30(29)35-2)22-8-7-20-32-31(34)26-16-14-25(15-17-26)24-10-5-4-6-11-24/h4-6,9-17,28H,3,7-8,18-23H2,1-2H3,(H,32,34)
InChIKeyLVSUPYDDQCSHAN-UHFFFAOYSA-N
MW470.66 g/mol
LogP6.14
Rot. Bonds11

About N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide

N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide (PubChem CID 19592121) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
PubChem CID19592121
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC NameN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C31H38N2O2/c1-3-21-33(28-18-19-29-27(23-28)12-9-13-30(29)35-2)22-8-7-20-32-31(34)26-16-14-25(15-17-26)24-10-5-4-6-11-24/h4-6,9-17,28H,3,7-8,18-23H2,1-2H3,(H,32,34)
InChIKeyLVSUPYDDQCSHAN-UHFFFAOYSA-N
XLogP6.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide (CID 19592121) is N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide is CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide?
The InChIKey is LVSUPYDDQCSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-3-21-33(28-18-19-29-27(23-28)12-9-13-30(29)35-2)22-8-7-20-32-31(34)26-16-14-25(15-17-26)24-10-5-4-6-11-24/h4-6,9-17,28H,3,7-8,18-23H2,1-2H3,(H,32,34).
What are the key properties of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide?
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide has a molecular weight of 470.66 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide is sourced from PubChem (CID 19592121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).