N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide

C23H27NO — CID 175179674

IUPACN-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
SMILESO=C(N[C@H]1CCC2CCCCC2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO/c25-23(24-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-22H,4-5,8-9,14-16H2,(H,24,25)/t18?,21?,22-/m0/s1
InChIKeyMLKQNROEJKQGBI-UDJZJCJKSA-N
MW333.48 g/mol
LogP5.44
Rot. Bonds3

About N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide

N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide (PubChem CID 175179674) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
PubChem CID175179674
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
SMILESO=C(N[C@H]1CCC2CCCCC2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO/c25-23(24-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-22H,4-5,8-9,14-16H2,(H,24,25)/t18?,21?,22-/m0/s1
InChIKeyMLKQNROEJKQGBI-UDJZJCJKSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide (CID 175179674) is N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide is O=C(N[C@H]1CCC2CCCCC2C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide?
The InChIKey is MLKQNROEJKQGBI-UDJZJCJKSA-N. The full InChI is InChI=1S/C23H27NO/c25-23(24-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-22H,4-5,8-9,14-16H2,(H,24,25)/t18?,21?,22-/m0/s1.
What are the key properties of N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide?
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide has a molecular weight of 333.48 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 175179674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).