N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide

C28H40N2O2 — CID 171576977

IUPACN-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCC3CCCCC32)cc1)C1CCCC2CCCCC21
InChIInChI=1S/C28H40N2O2/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(32)26-14-6-10-20-8-2-4-12-24(20)26/h15-20,23-26H,1-14H2,(H,29,31)(H,30,32)
InChIKeyQEAZAAWKDDNGGL-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.78
Rot. Bonds4

About N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide

N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide (PubChem CID 171576977) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
PubChem CID171576977
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC NameN-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCC3CCCCC32)cc1)C1CCCC2CCCCC21
InChIInChI=1S/C28H40N2O2/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(32)26-14-6-10-20-8-2-4-12-24(20)26/h15-20,23-26H,1-14H2,(H,29,31)(H,30,32)
InChIKeyQEAZAAWKDDNGGL-UHFFFAOYSA-N
XLogP6.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The IUPAC name of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide (CID 171576977) is N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCC3CCCCC32)cc1)C1CCCC2CCCCC21.
What is the InChIKey of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The InChIKey is QEAZAAWKDDNGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(32)26-14-6-10-20-8-2-4-12-24(20)26/h15-20,23-26H,1-14H2,(H,29,31)(H,30,32).
What are the key properties of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 6.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide is sourced from PubChem (CID 171576977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).