2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C21H24N2O — CID 164817419

IUPAC2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)c1c(-c2cccc3c2CCC[C@H]3N)ccc2c1CCCC2
InChIInChI=1S/C21H24N2O/c22-19-10-4-8-15-16(7-3-9-17(15)19)18-12-11-13-5-1-2-6-14(13)20(18)21(23)24/h3,7,9,11-12,19H,1-2,4-6,8,10,22H2,(H2,23,24)/t19-/m1/s1
InChIKeyUUTDAPHWHRMOCD-LJQANCHMSA-N
MW320.44 g/mol
LogP3.67
Rot. Bonds2

About 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 164817419) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID164817419
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)c1c(-c2cccc3c2CCC[C@H]3N)ccc2c1CCCC2
InChIInChI=1S/C21H24N2O/c22-19-10-4-8-15-16(7-3-9-17(15)19)18-12-11-13-5-1-2-6-14(13)20(18)21(23)24/h3,7,9,11-12,19H,1-2,4-6,8,10,22H2,(H2,23,24)/t19-/m1/s1
InChIKeyUUTDAPHWHRMOCD-LJQANCHMSA-N
XLogP3.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 164817419) is 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is NC(=O)c1c(-c2cccc3c2CCC[C@H]3N)ccc2c1CCCC2.
What is the InChIKey of 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is UUTDAPHWHRMOCD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O/c22-19-10-4-8-15-16(7-3-9-17(15)19)18-12-11-13-5-1-2-6-14(13)20(18)21(23)24/h3,7,9,11-12,19H,1-2,4-6,8,10,22H2,(H2,23,24)/t19-/m1/s1.
What are the key properties of 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 164817419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).