N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide

C23H27NO — CID 21361588

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C23H27NO/c1-23(2)13-5-7-19(23)15-24-22(25)18-11-12-21-17(14-18)10-9-16-6-3-4-8-20(16)21/h3-4,6,8,11-12,14,19H,5,7,9-10,13,15H2,1-2H3,(H,24,25)
InChIKeyGKJQHSSVACAREP-UHFFFAOYSA-N
MW333.47 g/mol
LogP5.01
Rot. Bonds3

About N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide

N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide (PubChem CID 21361588) has the molecular formula C23H27NO and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
PubChem CID21361588
Molecular FormulaC23H27NO
Molecular Weight333.47 g/mol
Exact Mass333.21
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C23H27NO/c1-23(2)13-5-7-19(23)15-24-22(25)18-11-12-21-17(14-18)10-9-16-6-3-4-8-20(16)21/h3-4,6,8,11-12,14,19H,5,7,9-10,13,15H2,1-2H3,(H,24,25)
InChIKeyGKJQHSSVACAREP-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide (CID 21361588) is N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide is CC1(C)CCCC1CNC(=O)c1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide?
The InChIKey is GKJQHSSVACAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-23(2)13-5-7-19(23)15-24-22(25)18-11-12-21-17(14-18)10-9-16-6-3-4-8-20(16)21/h3-4,6,8,11-12,14,19H,5,7,9-10,13,15H2,1-2H3,(H,24,25).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide?
N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide is sourced from PubChem (CID 21361588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).