(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H26N2O — CID 15703621

IUPAC(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCCN(Cc1ccccc1)[C@@H]1CCc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C21H26N2O/c1-2-12-23(15-16-6-4-3-5-7-16)20-11-10-17-8-9-18(21(22)24)13-19(17)14-20/h3-9,13,20H,2,10-12,14-15H2,1H3,(H2,22,24)/t20-/m1/s1
InChIKeyWAXVSHDJWVPTKI-HXUWFJFHSA-N
MW322.45 g/mol
LogP3.56
Rot. Bonds6

About (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 15703621) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID15703621
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCCN(Cc1ccccc1)[C@@H]1CCc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C21H26N2O/c1-2-12-23(15-16-6-4-3-5-7-16)20-11-10-17-8-9-18(21(22)24)13-19(17)14-20/h3-9,13,20H,2,10-12,14-15H2,1H3,(H2,22,24)/t20-/m1/s1
InChIKeyWAXVSHDJWVPTKI-HXUWFJFHSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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 (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 15703621) is (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCCN(Cc1ccccc1)[C@@H]1CCc2ccc(C(N)=O)cc2C1.
What is the InChIKey of (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WAXVSHDJWVPTKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-12-23(15-16-6-4-3-5-7-16)20-11-10-17-8-9-18(21(22)24)13-19(17)14-20/h3-9,13,20H,2,10-12,14-15H2,1H3,(H2,22,24)/t20-/m1/s1.
What are the key properties of (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 15703621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).